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Residue subdatabase dump
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Residue |
Size |
Type |
Abundance |
Structures |
WURCSProton count / Atom types |
Description |
---|
 1,2,6daraHex | hex | ald | 0 | 0 | dd122m221113 | 1,2,6-trideoxy-arabino-hexose (olivose in C-glycoside) |
no configuration variants are populated | ddoodd (pyranose), ddodod (furanose) |
 1,3dgroTet-ol | tet | ol | 0 | 0 | m2dh3122 | 1,3-dideoxy-glycero-tetritol |
no configuration variants are populated | dodo (acyclic) |
 1,4dxylHex | hex | ald | 15 | 7 | d21d2h211212 | 1,4-dideoxy-xylo-hexose |
b-D-1,4dxylHexp ?-D-1,4dxylHexp
| 26 4
| 26 4
| [CH2](O)[C@@H](O1)[CH2][C@H](O)[C@@H](O)[C@H](O)1 dooddo
[CH2](O)[C@@H](O1)[CH2][C@H](O)[C@@H](O)[CH](O)1 dooddo
|
 1,6anhGlc | hex | ald | 0 | 0 | ?2122h_1-6211112 | 1,6-anhydroglucose |
no configuration variants are populated | xooodx (pyranose), xoodox (furanose) |
 1,6anhGlcN | hex | ald | 0 | 0 | ?2122h_1-6_2*N211112 | 2-amino-1,6-anhydro-2-deoxyglucose |
no configuration variants are populated | xnoodx (pyranose), xnodox (furanose) |
 1,6anhMur | non* | ald | 1 | 1 | ?2122h_1-6_2*N_3*OC^RCO/4=O/3C111112103 | 1,6-anhydro-2-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose (1,6-anhydromuramic acid) |
?-1,6anhMurp ?-1,6anhMur? b-1,6anhMurp
| 3 3 1
| 3 3 1
| [CH2](O2)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH]21 dnxodddad
2 variants possible; use an icon → dnx??ddad
[CH2](O2)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@H]21 dnxodddad
|
 1,6dGul | hex | ald | 1 | 1 | d2212m211113 | 1,6-dideoxygulose |
?-D-1,6dGulp b-D-1,6dGulp
| 2 1
| 2 1
| [CH3][C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 oooodd
[CH3][C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodd
|
 10b1C19 | mva | lip | 1 | 1 | *OCCCCCCCCCC^XCCCCCCCC/12C/3=O0222222221222222233 | tuberculostearic acid (10-methyl-octadecanoic acid) |
?-10b1C19 R-10b1C19
| 9 1
| 8 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddd
|
 11HOLau | nsu | lip | 14 | 7 | *1OCCCCCCCCCCC^XC/5O*3/3=O022222222213 | 11-hydroxy-dodecanoic acid |
?-11HOLau
| 8
| 8
| [CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddod
|
 13HOBeh | nsu | lip | 4 | 3 | *1OCCCCCCCCCCCCC^XCCCCCCCCC/15O*3/3=O0222222222221222222223 | 13-hydroxy-docosanoic acid |
?-13HOBeh S-13HOBeh
| 8 4
| 8 4
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddoddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddoddddddddd
|
 15,16HOPam | nsu | lip | 8 | 5 | *1OCCCCCCCCCCCCCCC^XCO*16/17O*15/3=O0222222222222212 | 15,16-dihydroxy-hexadecanoic acid |
?-15,16HOPam
| 19
| 19
| [CH2](O)[CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddoo
|
 15HOPam | nsu | lip | 5 | 3 | *1OCCCCCCCCCCCCCCCC/17O*15/3=O0222222222222213 | 15-hydroxy-hexadecanoic acid |
?-15HOPam
| 13
| 13
| [CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddod
|
 17HOBeh | nsu | lip | 8 | 8 | *1OCCCCCCCCCCCCCCCCC^XCCCCC/15O*3/3=O0222222222222222122223 | 17-hydroxy-docosanoic acid |
?-17HOBeh
| 10
| 10
| [CH3][CH2][CH2][CH2][CH2][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddoddddd
|
 17HOC18={?,?} | nsu | lip | 4 | 2 | @C18{=,=}0???????????????13 | 17-hydroxy-octadecadienoic acid |
?-17HOC18={?,?}
| 4
| 4
| a???????????????od
|
 17HOC18={?} | nsu | lip | 0 | 0 | @C18{=}0???????????????13 | 17-hydroxy-octadecenoic acid |
no configuration variants are populated | a???????????????od (acyclic) |
 17HOLin | mva | lip | 43 | 7 | *OCCCCCCCCC=^ZCCC=^ZCCCCCC/19O*17/3=O/022222221121122213 | 17-hydroxy-linoleic acid (17-hydroxy-9Z,12Z-octadecadienoic acid) |
?-17HOLin R-17HOLin
| 12 2
| 12 2
| [CH3][CH](O)[CH2][CH2][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdDDdddod [CH3][C@@H](O)[CH2][CH2][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdDDdddod
|
 17HOOle | nsu | lip | 280 | 76 | *1OCCCCCCCCC=^ZCCCCCCCC^XC/19O*17/3=O022222221122222213 | 17-hydroxy-cis-9-octadecenoic acid |
?-17HOOle R-17HOOle S-17HOOle
| 95 21 4
| 95 21 4
| [CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDddddddod [CH3][C@@H](O)[CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDddddddod [CH3][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDddddddod
|
 17HOSte | nsu | lip | 25 | 8 | *1OCCCCCCCCCCCCCCCC^XCC/19O*17/3=O022222222222222213 | 17-hydroxy-stearic acid |
?-17HOSte S-17HOSte R-17HOSte
| 21 4 3
| 20 3 3
| [CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddod [CH3][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddod [CH3][C@@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddod
|
 18HOOle | nsu* | lip | 6 | 3 | *1OCCCCCCCCC=^ZCCCCCCCCC/20O*18/3=O022222221122222222 | 18-hydroxy-cis-9-octadecenoic acid |
18HOOle
| 28
| 19
| [CH2](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddddo
|
 18HOSte | nsu* | lip | 2 | 1 | *1OCCCCCCCCCCCCCCCCCC/20O*18/3=O022222222222222222 | 18-hydroxy-stearic acid |
18HOSte
| 3
| 3
| [CH2](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddo
|
 1dEry-ol | tet | ol | 11 | 10 | m22h3112 | 1-deoxyerythritol |
?-1dEry-ol L-1dEry-ol D-1dEry-ol
| 15 5 5
| 15 5 5
| 2 variants possible; use an icon → dooo
[CH2](O)[C@H](O)[C@H](O)[CH3] dooo
[CH2](O)[C@@H](O)[C@@H](O)[CH3] dooo
|
 1dGal | hex | ald | 2 | 2 | d2112h211112 | 1-deoxy-galactose (the same as linear form of 1,5-anhGal-ol, which still has 1-5 cycle) |
b-D-1dGalp a-D-1dGalp
| 5 1
| 5 1
| [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 dooodo
[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 dooodo
|
 1dGlc | hex | ald | 34 | 20 | d2122h211112 | 1-deoxy-glucose (the same as linear form of 1,5-anhGlc-ol, which still has 1-5 cycle) |
b-D-1dGlcp b-D-1dGlc? a-D-1dGlcp ?-?-1dGlc? ?-D-1dGlcp
| 182 4 2 2 1
| 173 4 2 2 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 dooodo
2 variants possible; use an icon → doo??o
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 dooodo
4 variants possible; use an icon → doo??o
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH2]1 dooodo
|
 1dOli | hex | ald | 10 | 10 | dd122m221113 | 1,2,6-trideoxy-arabino-hexose (olivose in C-glycoside) |
b-D-1dOlip
| 28
| 28
| [CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@H](O)1 ddoodd
|
 1dRha | hex | ald | 1 | 1 | d1122m211113 | 1,6-dideoxymannose (1-deoxyrhamnose) |
a-L-1dRhap
| 2
| 2
| [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodd
|
 1dThre-ol | tet | ol | 1 | 1 | m12h3112 | 1-deoxythreitol |
?-1dThre-ol
| 2
| 2
| 2 variants possible; use an icon → dooo
|
 1dThre3N-ol | tet | ol | 0 | 0 | m12h_3*N3112 | 3-amino-1,3-dideoxythreitol |
no configuration variants are populated | dono (acyclic) |
 2,15,16HOPam | nsu | lip | 14 | 7 | *1OCC^XCCCCCCCCCCCCC^XCO*16/17O*15/4O*2/3=O0122222222222212 | 2,15,16-trihydroxy-hexadecanoic acid |
?-2,15,16HOPam
| 37
| 37
| [CH2](O)[CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aoddddddddddddoo
|
 2,4HO3,3,4MePro-5-oxo | nsu | | 1 | 1 | AxCXA-2x_2-5*N*_3*C_3*C_4*C00000333 | 2,4-dihydroxy-3,3,4-trimethyl-5-oxoproline |
?-2,4HO3,3,4MePro-5-oxo
| 4
| 4
| [C](=O)1[C]([CH3])(O)[C]([CH3])([CH3])[C](O)(N1C)[C](=O)(O) aodoNddd
|
 2,4HOBut | nsu | lip | 11 | 3 | *1OCC^XCCO*4/4O*2/3=O0122 | 2,4-dihydroxybutanoic acid (3d-glycero-tetronic acid) |
S-2,4HOBut R-2,4HOBut
| 154 15
| 66 6
| [CH2](O)[CH2][C@H](O)[C](=O)O aodo [CH2](O)[CH2][C@@H](O)[C](=O)O aodo
|
 2,5anhMan | hex | ald | 11 | 11 | A1122h_2-5111112 | 2,5-anhydromannose |
D-2,5anhMana ?-D-2,5anhMan? ?-?-2,5anhMan? ?-2,5anhMana
| 16 10 4 1
| 16 10 4 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H]1[CH]=O Axooxo
2 variants possible; use an icon → ?xo?xo
4 variants possible; use an icon → ?xo?xo
2 variants possible; use an icon → Axooxo
|
 2,5anhMan-ol | hex | ol | 10 | 4 | h1122h_2-5211112 | 2,5-anhydromannitol |
D-2,5anhMan-ol ?-2,5anhMan-ol L-2,5anhMan-ol
| 24 3 1
| 24 3 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H]1[CH2](O) oxooxo
2 variants possible; use an icon → oxooxo
[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H]1[CH2](O) oxooxo
|
 2,5anhTal | hex | ald | 2 | 2 | A1112h_2-5111112 | 2,5-anhydrotalose |
D-2,5anhTala ?-2,5anhTala
| 11 2
| 11 2
| [CH2](O)[C@@H](O2)[C@H](O)[C@H](O)[C@H]2[CH]=O Axooxo
2 variants possible; use an icon → Axooxo
|
 2,6daraHex | hex | ald | 0 | 0 | ?d122m121113 | 2,6-dideoxy-arabino-hexose (olivose, 2d-Qui = 2d-Rha), 3OMe-derivative = oleandrose |
no configuration variants are populated | Adoood (acyclic), odoodd (pyranose), ododod (furanose) |
 2,6daraHex3N | hex | ald | 0 | 0 | ?12d2m_3*N121113 | 3-amino-2,3,6-trideoxy-arabino-hexose |
no configuration variants are populated | Adnood (acyclic), odnodd (pyranose), odndod (furanose) |
 2,6daraHex4N | hex | ald | 0 | 0 | ?d122m_4*N121113 | 4-amino-2,4,6-trideoxy-arabino-hexose |
no configuration variants are populated | Adonod (acyclic), odondd (pyranose) |
 2,6dlyxHex3N | hex | ald | 0 | 0 | ?11d2m_3*N121113 | 3-amino-2,3,6-trideoxy-lyxo-hexose |
no configuration variants are populated | Adnood (acyclic), odnodd (pyranose), odndod (furanose) |
 2,6dxylHex | hex | ald | 0 | 0 | ?d212m121113 | 2,6-dideoxy-xylo-hexose (sarmentose = boiviniose, 2d6d-Gul = 2d6d-Ido) |
no configuration variants are populated | Adoood (acyclic), odoodd (pyranose), ododod (furanose) |
 2,7anhKdo-ol | oct | ol | 0 | 0 | Axd1122h_2-701211112 | 2,7-anhydro-3-deoxy-D-glycero-D-galacto/talo-octonic acid |
no configuration variants are populated | axdoooxo (acyclic) |
 2,7anhmanOct-onic | oct | opn | 0 | 0 | Axx1122h_2-701111112 | 2,7-anhydro-manno-octonic acid |
no configuration variants are populated | axooooxo (acyclic) |
 2,7anhSed | hep | ket | 0 | 0 | h?1222h_2-72011112 | 2,7-anhydro-altro-hept-2-ulopyranose (sedoheptulosan if D) |
no configuration variants are populated | oxooodx (pyranose), oxoodox (furanose) |
 27HOMon | nsu | lip | 27 | 12 | *1OCCCCCCCCCCCCCCCCCCCCCCCCCCC^XC/29O*27/3=O0222222222222222222222222213 | 27-hydroxy-octacosanoic acid |
?-27HOMon
| 88
| 80
| [CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddddddddddod
|
 27oxoMon | nsu* | lip | 2 | 2 | *OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/29=O/3=O0222222222222222222222222203 | 27-oxo-octacosanoic acid |
27oxoMon
| 7
| 7
| [CH3][C](=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddddddddddxd
|
 2b14b1Pam | mva* | lip | 3 | 1 | *OCC^XCC^XCCCCCCCCCC/6C/4C/3=O0121222222222333 | 2,4-dimethyl-tetradecanoic acid |
2b14b1Pam
| 12
| 5
| [CH3][CH2][CH2][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH2][CH]([CH3])[C](=O)O addddddddddddddd
|
 2daraHexA | hex | ald | 5 | 4 | ?d122A121110 | 2-deoxy-arabino-hexuronic acid (2-deoxyglucuronic acid) |
b-D-2daraHexpA ?-D-2daraHex?A
| 7 1
| 7 1
| [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@H](O)1 odooda
3 variants possible; use an icon → ?do??a
|
 2dRib | pen | ald | 2 | 1 | ?d22h12112 | 2-deoxy-erytro-pentose (2d-Rib = 2d-Ara) |
b-D-2dRibf
| 2
| 2
| [CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](O)1 ododo
|
 2HOAch | nsu | lip | 2 | 2 | *1OCC^XCCCCCCCCCCCCCCCCCC/4O*3/3=O01222222222222222223 | 2-hydroxy-icosanoic acid |
?-2HOAch
| 8
| 8
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aodddddddddddddddddd
|
 2HOC13 | nsu | lip | 3 | 1 | *1OCC^XCCCCCCCCCCC/4O*3/3=O0122222222223 | 2-hydroxy-tridecanoic acid |
R-2HOC13
| 3
| 3
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aoddddddddddd
|
 2HOC15 | nsu | lip | 10 | 5 | *1OCC^XCCCCCCCCCCCCC/4O*3/3=O012222222222223 | 2-hydroxy-pentadecanoic acid |
R-2HOC15 ?-2HOC15
| 7 1
| 7 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aoddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aoddddddddddddd
|
 2HOC16={t3} | nsu | lip | 34 | 13 | *1OC^XCC=^ECCCCCCCCCCCCC/4O*2/3=O0111222222222223 | 2-hydroxy-trans-3-hexadecenoic acid |
R-2HOC16={t3} ?-2HOC16={t3}
| 14 7
| 14 7
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[C@@H](O)[C](=O)O aoDDdddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[CH](O)[C](=O)O aoDDdddddddddddd
|
 2HOC18={t3} | nsu | lip | 48 | 17 | *1OCC^XC=^ECCCCCCCCCCCCCCC/4O*2/3=O011122222222222223 | 2-hydroxy-trans-3-octadecenoic acid |
R-2HOC18={t3} ?-2HOC18={t3}
| 37 18
| 37 18
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[C@@H](O)[C](=O)O aoDDdddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[CH](O)[C](=O)O aoDDdddddddddddddd
|
 2HOGlt | nsu | | 1 | 1 | *1OCC^XCCCO*5/7=O/4O*2/3=O01220 | 2-hydroxyglutaric acid |
S-2HOGlt R-2HOGlt
| 4 1
| 4 1
| [C](=O)(O)[CH2][CH2][C@H](O)[C](=O)(O) aodda [C](=O)(O)[CH2][CH2][C@@H](O)[C](=O)(O) aodda
|
 2HOLau | nsu | lip | 64 | 38 | *1OCC^XCCCCCCCCCC/4O*2/3=O012222222223 | 2-hydroxy-dodecanoic acid |
?-2HOLau S-2HOLau R-2HOLau
| 68 17 2
| 61 11 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aodddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[C](=O)O aodddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aodddddddddd
|
 2HOLig | nsu | lip | 56 | 16 | *1OCC^XCCCCCCCCCCCCCCCCCCCCCC/4O*2/3=O012222222222222222222223 | 2-hydroxy-tetracosanoic acid |
?-2HOLig R-2HOLig
| 117 6
| 117 6
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aodddddddddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aodddddddddddddddddddddd
|
 2HOMar | nsu | lip | 3 | 3 | *1OCC^XCCCCCCCCCCCCCCC/4O*3/3=O01222222222222223 | 2-hydroxy-margaric acid |
R-2HOMar ?-2HOMar
| 6 1
| 6 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aoddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aoddddddddddddddd
|
 2HOMyr | nsu | lip | 73 | 27 | *1OCC^XCCCCCCCCCCCC/4O*2/3=O01222222222223 | 2-hydroxy-tetradecanoic acid |
?-2HOMyr S-2HOMyr R-2HOMyr
| 45 13 4
| 45 13 4
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aodddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[C](=O)O aodddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aodddddddddddd
|
 2HOPam | nsu | lip | 120 | 33 | *1OCC^XCCCCCCCCCCCCCC/4O*2/3=O0122222222222223 | 2-hydroxy-hexadecanoic acid |
?-2HOPam R-2HOPam S-2HOPam
| 51 43 2
| 51 43 2
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aodddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aodddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[C](=O)O aodddddddddddddd
|
 2HOSte | nsu | lip | 88 | 24 | *1OCC^XCCCCCCCCCCCCCCCC/4O*2/3=O012222222222222223 | 2-hydroxy-stearic acid |
?-2HOSte R-2HOSte S-2HOSte
| 49 47 1
| 49 47 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aodddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aodddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H](O)[C](=O)O aodddddddddddddddd
|
 2HOSuc | nsu | | 7 | 3 | *1OCC^XCCO*4/6=O/4O*2/3=O0120 | malic acid (2-hydroxysuccinic acid) |
?-2HOSuc S-2HOSuc R-2HOSuc
| 12 6 6
| 12 6 5
| [C](=O)(O)[CH2][CH](O)[C](=O)(O) aoda [C](=O)(O)[CH2][C@H](O)[C](=O)(O) aoda [C](=O)(O)[CH2][C@@H](O)[C](=O)(O) aoda
|
 2NBz | nsu* | | 1 | 1 | *7OC(CC^ECC^ZCC^Z$4)/5N*2/3=O0011110 | 2-aminobenzoic acid (anthranilic acid) |
2NBz
| 4
| 4
| [CH]1=[CH][CH]=[CH][C](N)=[C]1[C](=O)O DNDDDDa
|
 3,4,8HOPhet | nsu* | | 4 | 4 | *8OCC(CC^ECC^ECC^Z$4$5)/8O*4/7O*301001122 | 3,4,8-trihydroxy-ethylbenzene (phenylethan-3,4,8-triol, hydroxytyrosol) |
3,4,8HOPhet
| 199
| 199
| [CH]1=[CH][C](O)=[C](O)[CH]=[C]1[CH2][CH2]O DDOODDdo
|
 3,4HO1,3MePro-5-oxo | nsu | | 7 | 3 | AxXxA_2-5*N*/2C_3*C0101033 | 3,4-dihydroxy-N,3-dimethyl-5-oxoproline |
D-3,4HO1,3MePro-5-oxo
| 3
| 3
| [C](=O)1[CH](O)[C]([CH3])(O)[C@@H](N1C)[C](=O)(O) anooNdd
|
 3,4HOiC15 | nsu | lip | 1 | 1 | *1OCCC^XC^XCCCCCCCCCC/15C/6O*4/5O*3/3=O021122222222133 | 3,4-dihydroxy-iso-pentadecanoic acid |
?-3,4HOiC15
| 2
| 2
| [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH](O)[CH2][C](=O)O adooddddddddddd
|
 3,5HOHex | nsu* | lip | 6 | 5 | *1OCCC^XCC^XC/7O*5/5O*3/3=O021213 | 3,5-dihydroxyhexanoic acid |
3,5HOHex
| 9
| 9
| [CH3][CH](O)[CH2][CH](O)[CH2][C](=O)O adodod
|
 3deryPen | pen | ald | 55 | 6 | ?2d2h11212 | 3-deoxy-erytro-pentose (3d-Rib = 3d-Xyl) |
b-D-3deryPenf
| 9
| 9
| [CH2](O)[C@@H](O1)[CH2][C@@H](O)[C@H](O)1 ooddo
|
 3dgroTet | tet | ald | 0 | 0 | o2dh1122 | 3-deoxy-glycero-tetrose |
no configuration variants are populated | Aodo (acyclic), oodd (furanose) |
 3dgroTet-ol | tet | ol | 0 | 0 | h2dh2122 | 3-deoxy-glycero-tetritol |
no configuration variants are populated | oodo (acyclic) |
 3dthrHex-ulosonic | hex | ket | 1 | 1 | A?d12h002112 | 3-deoxy-threo-hex-2-ulosonic acid |
b-D-3dthrHex?-ulosonic
| 1
| 1
| 2 variants possible; use an icon → a?do??
|
 3HO2,3MePro-5-oxo | nsu | | 6 | 5 | AaXdA-2x_2-5*N*_2*C_3*C0002033 | 3-hydroxy-2,3-dimethyl-5-oxoproline (RR, SS, RS, SR = unknown) |
?-3HO2,3MePro-5-oxo
| 16
| 16
| [C](=O)1[CH2][C]([CH3])(O)[C]([CH3])(N1)[C](=O)(O) anodNdd
|
 3HO3MeGlt | nsu | | 2 | 2 | *1OCCC^XCCO*5/7=O/5C/5O*3/3=O020203 | 3-hydroxy-3-methylglutaric acid |
?-3HO3MeGlt R-3HO3MeGlt S-3HO3MeGlt
| 39 6 1
| 39 6 1
| [C](=O)(O)[CH2][C]([CH3])(O)[CH2][C](=O)(O) adodad [C](=O)(O)[CH2][C]([CH3])(O)[CH2][C](=O)(O) adodad [C](=O)(O)[CH2][C]([CH3])(O)[CH2][C](=O)(O) adodad
|
 3HOAch | nsu | lip | 24 | 7 | *1OCCC^XCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222223 | 3-hydroxy-icosanoic acid |
?-3HOAch R-3HOAch
| 43 6
| 23 3
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddddddddddddd
|
 3HOaiVl | nsu | lip | 3 | 1 | *OCC^XCC/3=O/4C/5O*301133 | 3S-hydroxy-anteisovaleric acid (2-methyl-butyric acid) |
R-3HOaiVl
| 1
| 1
| [CH3][C@H](O)[C@@H]([CH3])[C](=O)O adodd
|
 3HOBeh | nsu | lip | 4 | 2 | *1OCCC^XCCCCCCCCCCCCCCCCCCC/5O*3/3=O0212222222222222222223 | 3-hydroxy-docosanoic acid |
?-3HOBeh
| 6
| 3
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddddddddddddd
|
 3HOBut | nsu | lip | 276 | 142 | *1OCCC^XC/5O*3/3=O0213 | 3-hydroxybutanoic acid |
?-3HOBut R-3HOBut S-3HOBut
| 202 157 112
| 153 153 102
| [CH3][CH](O)[CH2][C](=O)O adod [CH3][C@@H](O)[CH2][C](=O)O adod [CH3][C@H](O)[CH2][C](=O)O adod
|
 3HOC13 | nsu | lip | 6 | 3 | *1OCCC^XCCCCCCCCCC/5O*3/3=O0212222222223 | 3-hydroxy-tridecanoic acid |
R-3HOC13 ?-3HOC13
| 22 8
| 6 4
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adodddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddd
|
 3HOC14={c4} | nsu | lip | 6 | 5 | *1OCCC^XC=^XCCCCCCCCCC/5O*3/3=O02122222222223 | 3-hydroxy-tetradec-4Z-enoic acid |
R-3HOC14={c4} ?-3HOC14={c4}
| 9 1
| 9 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][C@@H](O)[CH2][C](=O)O adoDDddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH](O)[CH2][C](=O)O adoDDddddddddd
|
 3HOC15 | nsu | lip | 4 | 3 | *1OCCC^XCCCCCCCCCCCC/5O*3/3=O021222222222223 | 3-hydroxy-pentadecanoic acid |
R-3HOC15 ?-3HOC15
| 8 3
| 8 3
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adodddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddddd
|
 3HODco | nsu | lip | 233 | 84 | *1OCCC^XCCCCCCC/5O*3/3=O0212222223 | 3-hydroxy-decanoic acid |
?-3HODco R-3HODco
| 234 113
| 135 51
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddd
|
 3HOHxo | nsu | lip | 11 | 7 | *1OCCC^XCCC/5O*3/3=O021223 | 3-hydroxy-hexanoic acid |
?-3HOHxo
| 24
| 24
| [CH3][CH2][CH2][CH](O)[CH2][C](=O)O adoddd
|
 3HOiC13 | nsu | lip | 6 | 4 | *1OCCC^XCCCCCCCCC/13C/5O*3/3=O0212222222133 | 3-hydroxy-iso-tridecanoic acid |
?-3HOiC13
| 26
| 14
| [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddd
|
 3HOiC15 | nsu | lip | 17 | 11 | *1OCCC^XCCCCCCCCCCC/15C/5O*3/3=O021222222222133 | 3-hydroxy-iso-pentadecanoic acid |
R-3HOiC15 ?-3HOiC15
| 15 12
| 13 11
| [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adodddddddddddd [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddddd
|
 3HOiMar | nsu | lip | 62 | 22 | *1OCCC^XCCCCCCCCCCCCCC/17C/5O*3/3=O02122222222222133 | 3-hydroxy-iso-heptadecanoic acid |
?-3HOiMar R-3HOiMar
| 42 39
| 23 22
| [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddddddd [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adodddddddddddddd
|
 3HOiMyr | nsu | lip | 4 | 2 | *1OCCC^XCCCCCCCCCC/14C/5O*3/3=O02122222222133 | 3-hydroxy-iso-tetradecanoic acid |
?-3HOiMyr R-3HOiMyr
| 10 2
| 5 1
| [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddddd [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddddddd
|
 3HOiVl | nsu* | lip | 1 | 1 | *1OCCCC/5C/5O*3/3=O02033 | 3-hydroxy-isovaleric acid |
3HOiVl
| 16
| 16
| [CH3][C]([CH3])(O)[CH2][C](=O)O adodd
|
 3HOLau | nsu | lip | 415 | 122 | *1OCCC^XCCCCCCCCC/5O*3/3=O021222222223 | 3-hydroxy-dodecanoic acid |
?-3HOLau R-3HOLau
| 360 240
| 165 99
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddddd
|
 3HOMar | nsu | lip | 19 | 7 | *1OCCC^XCCCCCCCCCCCCCC/5O*3/3=O02122222222222223 | 3-hydroxy-heptadecanoic acid |
?-3HOMar R-3HOMar
| 11 1
| 9 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adodddddddddddddd
|
 3HOMyr | nsu | lip | 1531 | 278 | *1OCCC^XCCCCCCCCCCC/5O*3/3=O02122222222223 | 3-hydroxy-tetradecanoic acid |
?-3HOMyr R-3HOMyr
| 1539 790
| 527 271
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddddddd
|
 3HOOco | nsu | lip | 11 | 7 | *1OCCC^XCCCCC/5O*3/3=O02122223 | 3-hydroxy-octanoic acid |
?-3HOOco
| 23
| 23
| [CH3][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddd
|
 3HOPam | nsu | lip | 329 | 78 | *1OCCC^XCCCCCCCCCCCCC/5O*3/3=O0212222222222223 | 3-hydroxy-hexadecanoic acid |
?-3HOPam R-3HOPam
| 210 116
| 131 72
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddddddddd
|
 3HOPro | nsu* | lip | 1 | 1 | *1OCCCO*3/3=O022 | beta-lactic acid (3-hydroxypropanoic acid) |
3HOPro
| 11
| 9
| [CH2](O)[CH2][C](=O)O ado
|
 3HOSte | nsu | lip | 124 | 29 | *1OCCC^XCCCCCCCCCCCCCCC/5O*3/3=O021222222222222223 | 3-hydroxy-stearic acid |
?-3HOSte R-3HOSte
| 189 60
| 97 27
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddddddddd [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[CH2][C](=O)O adoddddddddddddddd
|
 3oxoMyr | mva* | lip | 15 | 10 | *OCCCCCCCCCCCCCC/5=O/3=O02022222222223 | 3-oxo-tetradecanoic acid |
3oxoMyr
| 30
| 23
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)[CH2][C](=O)O addddddddddddd
|
 4,6daraHexN | hex | ald | 0 | 0 | ?12d2m_2*N111213 | 2-amino-2,4,6-trideoxy-arabino-hexose |
no configuration variants are populated | Anodod (acyclic), onoddd (pyranose) |
 4,7anhKdo | oct* | ket | 20 | 7 | A?d1122h_4-700211112 | 4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid |
?-4,7anhKdo? 4,7anhKdoa
| 6 4
| 6 4
| 3 variants possible; use an icon → a?dx??xo
[CH2](O)[C@@H](O2)[C@@H](O)[C@H](O)[C@H]2[CH2][C](=O)[C](=O)(O) axdxooxo
|
 4,8anhKdo | oct* | ket | 3 | 2 | A?d1122h_4-800211112 | 4,8-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid |
4,8anhKdoa ?-4,8anhKdo? a-4,8anhKdop
| 4 1 1
| 4 1 1
| [CH2](O2)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2[CH2][C](=O)[C](=O)(O) axdxooox
3 variants possible; use an icon → a?dx??ox
[CH2](O2)[C@@H](O)[C@@H](O1)[C@H](O)[C@H]2[CH2][C@@](O)1[C](=O)(O) aodxodox
|
 4daraHex | hex | ald | 15 | 7 | ?12d2h111212 | 4-deoxy-arabino-hexose |
b-D-4daraHexp a-D-4daraHexp
| 14 2
| 9 2
| [CH2](O)[C@@H](O1)[CH2][C@@H](O)[C@H](O)[C@H](O)1 oooddo
[CH2](O)[C@@H](O1)[CH2][C@@H](O)[C@H](O)[C@@H](O)1 oooddo
|
 4deryHex4enA | hex | ald | 6 | 6 | ?22eEA111100 | 4-deoxy-erythro-hex-4-enuronic acid |
a-L-4deryHexp4enA a-?-4deryHexp4enA
| 7 5
| 7 5
| [C](=O)(O)/[C](O1)=[CH][C@H](O)[C@H](O)[C@H](O)1 oooDDa
2 variants possible; use an icon → oooDDa
|
 4deryHex4enNA | hex | ald | 3 | 3 | ?22eEA_2*N111100 | 2-amino-2,4-dideoxy-erythro-hex-4-enuronic acid |
a-L-4deryHexp4enNA a-L-4deryHex?4enNA
| 3 2
| 3 2
| [C](=O)(O)/[C](O1)=[CH][C@H](O)[C@H](N)[C@H](O)1 onoDDa
[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@H](N)[C@H](O)1 ?noD?a
|
 4dthrHex4en | hex | ald | 4 | 2 | ?12eEh111102 | 4-deoxy-threo-hex-4-enose |
a-L-4dthrHexp4en b-D-4dthrHexp4en
| 2 2
| 2 2
| [CH2](O)/[C](O1)=[CH][C@H](O)[C@@H](O)[C@H](O)1 oooDDo
[CH2](O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@H](O)1 oooDDo
|
 4dthrHex4enA | hex | ald | 11 | 10 | ?12eEA111100 | 4-deoxy-threo-hex-4-enuronic acid |
b-L-4dthrHexp4enA a-D-4dthrHexp4enA a-L-4dthrHexp4enA b-L-4dthrHex?4enA ?-?-4dthrHex?4enA b-D-4dthrHex?4enA b-D-4dthrHexp4enA a-D-4dthrHex?4enA
| 44 18 14 11 1 1 1 1
| 44 17 13 11 1 1 1 1
| [C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](O)[C@@H](O)1 oooDDa
[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@@H](O)1 oooDDa
[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](O)[C@H](O)1 oooDDa
[C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](O)[C@@H](O)1 ?ooD?a
2 variants possible; use an icon → ?ooD?a
[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@H](O)1 ?ooD?a
[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@H](O)1 oooDDa
[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](O)[C@@H](O)1 ?ooD?a
|
 4dthrHex4enNA | hex | ald | 7 | 4 | ?12eEA_2*N111100 | 2-amino-2,4-dideoxy-threo-hex-4-enuronic acid |
b-L-4dthrHexp4enNA a-D-4dthrHexp4enNA b-D-4dthrHexp4enNA b-D-4dthrHex?4enNA ?-?-4dthrHexp4enNA
| 11 3 2 1 1
| 11 3 2 1 1
| [C](=O)(O)/[C](O1)=[CH][C@H](O)[C@@H](N)[C@@H](O)1 onoDDa
[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](N)[C@@H](O)1 onoDDa
[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](N)[C@H](O)1 onoDDa
[C](=O)(O)/[C](O1)=[CH][C@@H](O)[C@H](N)[C@H](O)1 ?noD?a
2 variants possible; use an icon → onoDDa
|
 4dxylHex | hex | ald | 2 | 2 | ?21d2h111212 | 4-deoxy-xylo-hexose |
a-D-4dxylHexp b-D-4dxylHexp
| 4 1
| 4 1
| [CH2](O)[C@@H](O1)[CH2][C@H](O)[C@@H](O)[C@@H](O)1 oooddo
[CH2](O)[C@@H](O1)[CH2][C@H](O)[C@@H](O)[C@H](O)1 oooddo
|
 4eLeg | non* | ket | 3 | 2 | A?d11122m_5*N_7*N002111113 | 4-epilegionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-talo-non-2-ulosonic) |
a-4eLegp a-4eLeg? ?-4eLegp b-4eLeg? ?-4eLeg? b-4eLegp
| 8 2 2 1 1 1
| 8 2 2 1 1 1
| [CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C@@](O)1[C](=O)(O) aodondnod
[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C@@](O)1[C](=O)(O) a?don?nod
[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C](O)1[C](=O)(O) aodondnod
[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C@](O)1[C](=O)(O) a?don?nod
2 variants possible; use an icon → a?don?nod
[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@H](O)[CH2][C@](O)1[C](=O)(O) aodondnod
|
 4HOaiHxo | nsu | lip | 0 | 0 | *1OCCC^XC^XC/6O*4/5C/3=O021133 | 4-hydroxy-3-methyl-pentanoic acid |
no configuration variants are populated | adoddd (acyclic) |
 4HOBut | nsu* | lip | 1 | 1 | *1OCCCCO*4/3=O0222 | 4-hydroxybutanoic acid |
4HOBut
| 35
| 35
| [CH2](O)[CH2][CH2][C](=O)O addo
|
 4HOBz | nsu* | | 2 | 1 | *7OC(CC^ZCC^ECC^Z$4)/7O*4/3=O0110110 | 4-hydroxybenzoic acid (p-hydroxybenzoic) |
4HOBz
| 41
| 35
| [CH]1=[CH][C](O)=[CH][CH]=[C]1[C](=O)O DDDODDa
|
 4NBz | nsu* | | 1 | 1 | *7OC(CC^ZCC^ECC^Z$4)/7N*4/3=O0110110 | 4-aminobenzoic acid |
4NBz
| 7
| 7
| [CH]1=[CH][C](N)=[CH][CH]=[C]1[C](=O)O DDDNDDa
|
 6dAllN | hex | ald | 0 | 0 | ?2222m_2*N111113 | 2-amino-2,6-dideoxyallose |
no configuration variants are populated | Anoood (acyclic), onoodd (pyranose), onodod (furanose) |
 6dallHep | hep | ald | 0 | 0 | ?2222dh1111122 | 6-deoxy-allo-heptose |
no configuration variants are populated | Aoooodo (acyclic), ooooddo (pyranose), ooododo (furanose) |
 6dAlt | hex | ald | 52 | 22 | ?1222m111113 | 6-deoxyaltrose |
b-D-6dAltp b-L-6dAltf b-L-6dAltp a-L-6dAltf ?-L-6dAltf a-L-6dAltp ?-L-6dAlt? ?-L-6dAltp b-L-6dAlt?
| 32 17 16 7 2 2 1 1 1
| 32 8 6 6 2 2 1 1 1
| [CH3][C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 oooodd
[CH3][C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ooodod
[CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodd
[CH3][C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ooodod
[CH3][C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ooodod
[CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodd
3 variants possible; use an icon → ?oo??d
[CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 oooodd
2 variants possible; use an icon → ?oo??d
|
 6dAltN | hex | ald | 10 | 4 | ?1222m_2*N111113 | 2-amino-2,6-dideoxyaltrose |
a-L-6dAltpN b-L-6dAltpN
| 3 1
| 3 1
| [CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1 onoodd
[CH3][C@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onoodd
|
 6daltHep | hep | ald | 17 | 11 | ?1222dh1111122 | 6-deoxy-altro-heptose |
a-D-6daltHepp b-D-6daltHepf
| 13 3
| 12 3
| [CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ooooddo
[CH2](O)[CH2][C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1 ooododo
|
 6dgalHep | hep | ald | 3 | 2 | ?2112dh1111122 | 6-deoxy-galacto-heptose |
a-L-6dgalHepf a-L-6dgalHepp
| 3 2
| 3 1
| [CH2](O)[CH2][C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1 ooododo
[CH2](O)[CH2][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ooooddo
|
 6dglcHep | hep | ald | 0 | 0 | ?2122dh1111122 | 6-deoxy-gluco-heptose |
no configuration variants are populated | Aoooodo (acyclic), ooooddo (pyranose), ooododo (furanose) |
 6dGulN | hex | ald | 0 | 0 | ?2212m_2*N111113 | 2-amino-2,6-dideoxygulose |
no configuration variants are populated | Anoood (acyclic), onoodd (pyranose), onodod (furanose) |
 6dgulHep | hep | ald | 9 | 2 | ?2212dh1111122 | 6-deoxy-gulo-heptose |
a-L-6dgulHepp ?-L-6dgulHep? a-L-6dgulHepf
| 12 1 1
| 9 1 1
| [CH2](O)[CH2][C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ooooddo
3 variants possible; use an icon → ?oo??do
[CH2](O)[CH2][C@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)1 ooododo
|
 6dIdo | hex | ald | 0 | 0 | ?1212m111113 | 6-deoxyidose |
no configuration variants are populated | Aooood (acyclic), oooodd (pyranose), ooodod (furanose) |
 6dIdoN | hex | ald | 0 | 0 | ?1212m_2*N111113 | 2-amino-2,6-dideoxyidose |
no configuration variants are populated | Anoood (acyclic), onoodd (pyranose), onodod (furanose) |
 6didoHep | hep | ald | 9 | 5 | ?1212dh1111122 | 6-deoxy-ido-heptose |
b-D-6didoHepp a-D-6didoHepp
| 7 1
| 6 1
| [CH2](O)[CH2][C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ooooddo
[CH2](O)[CH2][C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ooooddo
|
 6dmanHep | hep | ald | 46 | 12 | ?1122dh1111122 | 6-deoxy-manno-heptose |
b-D-6dmanHepp a-D-6dmanHepp b-?-6dmanHepp ?-?-6dmanHep? ?-?-6dmanHepp a-D-6dmanHep? b-D-6dmanHep? ?-D-6dmanHep?
| 41 17 3 3 2 1 1 1
| 39 10 3 3 2 1 1 1
| [CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ooooddo
[CH2](O)[CH2][C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ooooddo
2 variants possible; use an icon → ooooddo
4 variants possible; use an icon → ?oo??do
2 variants possible; use an icon → ooooddo
2 variants possible; use an icon → ?oo??do
2 variants possible; use an icon → ?oo??do
3 variants possible; use an icon → ?oo??do
|
 6dTal | hex | ald | 247 | 90 | ?1112m111113 | 6-deoxytalose |
a-L-6dTalp a-D-6dTalp b-L-6dTalp ?-L-6dTal? a-?-6dTalp a-L-6dTal? b-D-6dTalp ?-L-6dTalp b-?-6dTalp ?-?-6dTalp a-?-6dTal?
| 318 50 14 13 10 7 6 4 3 2 1
| 246 37 12 13 7 7 5 4 1 2 1
| [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodd
[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)1 oooodd
[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1 oooodd
3 variants possible; use an icon → ?oo??d
2 variants possible; use an icon → oooodd
2 variants possible; use an icon → ?oo??d
[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)1 oooodd
[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[CH](O)1 oooodd
2 variants possible; use an icon → oooodd
2 variants possible; use an icon → oooodd
4 variants possible; use an icon → ?oo??d
|
 6dTal3N | hex | ald | 0 | 0 | ?1112m_3*N111113 | 3-amino-3,6-dideoxytalose |
no configuration variants are populated | Aonood (acyclic), oonodd (pyranose), oondod (furanose) |
 6dTalN | hex | ald | 15 | 6 | ?1112m_2*N111113 | 2-amino-2,6-dideoxytalose (pneumosamine if D) |
a-L-6dTalpN a-L-6dTal?N b-L-6dTalpN
| 14 2 2
| 14 2 2
| [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](N)[C@H](O)1 onoodd
2 variants possible; use an icon → ?no??d
[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@@H](N)[C@@H](O)1 onoodd
|
 6dxylHex-4-ulo | hex | ald | 2 | 2 | ?21U2m111013 | 6-deoxy-xylo-hexos-4-ulose |
a-D-6dxylHexp-4-ulo ?-D-6dxylHexp-4-ulo b-D-6dxylHexp-4-ulo
| 2 1 1
| 2 1 1
| [CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](O)[C@@H](O)1 oooxdd
[CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](O)[CH](O)1 oooxdd
[CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](O)[C@H](O)1 oooxdd
|
 6dxylHexN-4-ulo | hex | ald | 44 | 9 | ?21U2m_2*N111013 | 2-amino-2,6-dideoxy-xylo-hexos-4-ulose |
a-D-6dxylHexpN-4-ulo b-D-6dxylHexpN-4-ulo ?-D-6dxylHexpN-4-ulo a-L-6dxylHexpN-4-ulo
| 16 14 1 1
| 16 14 1 1
| [CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](N)[C@@H](O)1 onoxdd
[CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](N)[C@H](O)1 onoxdd
[CH3][C@@H](O1)[C](=O)[C@H](O)[C@@H](N)[CH](O)1 onoxdd
[CH3][C@H](O1)[C](=O)[C@@H](O)[C@H](N)[C@H](O)1 onoxdd
|
 8eAci | non* | ket | 6 | 3 | A?d21112m_5*N_7*N002111113 | 8-epiacinetaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-altro-non-2-ulosonic) |
a-8eAcip ?-8eAcip b-8eAcip
| 2 1 1
| 2 1 1
| [CH3][C@@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) aodondnod
[CH3][C@@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodondnod
[CH3][C@@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) aodondnod
|
 8eLeg | non* | ket | 18 | 10 | A?d21121m_5*N_7*N002111113 | 8-epilegionaminic (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-D-galacto-non-2-ulosonic) |
a-8eLegp b-8eLegp ?-8eLegp ?-8eLeg? b-8eLeg?
| 52 6 5 4 1
| 51 6 5 4 1
| [CH3][C@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) aodondnod
[CH3][C@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) aodondnod
[CH3][C@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodondnod
2 variants possible; use an icon → a?don?nod
[CH3][C@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) a?don?nod
|
 8ePse | non* | ket | 4 | 3 | A?d22112m_5*N_7*N002111113 | 8-epipseudaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-manno-non-2-ulosonic) |
?-8ePsep b-8ePsep
| 2 2
| 2 2
| [CH3][C@@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodondnod
[CH3][C@@H](O)[C@H](N)[C@H](O1)[C@@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) aodondnod
|
 9b1SphdC19 | nsu* | sph | 69 | 13 | *1OCCCC=^ECCCC=^ECCCCCCCCCC/11C/5O*3/4N*22111122102222222233 | (4E,8E)-9-methyl-4,8-sphingadienine-C18 |
9b1SphdC19
| 32
| 31
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[C]([CH3])=[CH]/[CH2][CH2]/[CH]=[CH]/[CH](O)[CH](N)[CH2]O onoDDddDDdddddddddd
|
 Abe | hex* | ald | 34 | 16 | ?2d12m112113 | 3,6-dideoxy-D-xylo-hexose (abequose), 3dFuc=3,6dGul |
a-Abep a-Abe? ?-Abep ?-Abe?
| 164 3 3 1
| 143 3 3 1
| [CH3][C@@H](O1)[C@H](O)[CH2][C@@H](O)[C@@H](O)1 oododd
2 variants possible; use an icon → ?od??d
[CH3][C@@H](O1)[C@H](O)[CH2][C@@H](O)[CH](O)1 oododd
2 variants possible; use an icon → ?od??d
|
 Ac | mva* | | 17142 | 3211 | *OCC/3=O03 | acetic acid |
Ac
| 24758
| 11469
| [CH3][C](=O)O ad
|
 Ach | mva* | lip | 2 | 2 | *OCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222223 | arachidic acid (icosanoic acid) |
Ach
| 11
| 11
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddddd
|
 Aci | non* | ket | 13 | 2 | A?d21111m_5*N_7*N002111113 | acinetaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-altro-non-2-ulosonic) |
a-Acip ?-Acip
| 4 1
| 4 1
| [CH3][C@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) aodondnod
[CH3][C@H](O)[C@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodondnod
|
 Aco3N | hex* | ald | 0 | 0 | ?d121m_3*N121113 | 3-amino-2,3,6-trideoxy-L-xylo-hexose (acosamine) |
no configuration variants are populated | Adnood (acyclic), odnodd (pyranose), odndod (furanose) |
 Aep | nsu* | | 22 | 6 | *1OPCCN*3/3O/3=O022 | 2-amino-ethylphosphonic acid |
Aep
| 38
| 32
| [CH2](N)[CH2][1P](=O)(O)O adn
|
 Ala | nsu | pep | 364 | 103 | A2m_2*N013 | alanine |
L-Ala D-Ala ?-Ala
| 349 287 150
| 320 201 98
| [CH3][C@H](N)[C](=O)O and [CH3][C@@H](N)[C](=O)O and [CH3][CH](N)[C](=O)O and
|
 ALK | mva* | alk | 31 | 12 | @ALKYL | superclass: alcohol residue (alkyl) |
ALK
| 86
| 78
| <ANY>
|
 All-ol | hex | ol | 0 | 0 | h2222h211112 | allitol |
no configuration variants are populated | oooooo (acyclic) |
 All1N5NA | hex | ald | 9 | 3 | ?2222A_1*N_5*N111110 | 1,5-diamino-1,5-deoxy-alluronic acid |
b-D-Allf1N5NA
| 36
| 36
| N[C@@H]1O[C@H]([C@H](N)[C](=O)O)[C@@H](O)[C@H]1O noodna
|
 All5NA | hex | ald | 0 | 0 | ?2222A_5*N111110 | 5-amino-5-deoxy-alluronic acid |
no configuration variants are populated | Aooona (acyclic), ooodna (furanose) |
 AllA | hex | ald | 0 | 0 | ?2222A111110 | alluronic acid |
no configuration variants are populated | Aooooa (acyclic), ooooda (pyranose), ooodoa (furanose) |
 AllN | hex | ald | 1 | 1 | ?2222h_2*N111112 | 2-amino-2-deoxyallose |
a-D-AllpN b-D-AllpN
| 5 4
| 5 2
| [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](N)[C@@H](O)1 onoodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](N)[C@H](O)1 onoodo
|
 AllN3N | hex | ald | 0 | 0 | ?2222h_2*N_3*N111112 | 2,3-diamino-2,3-dideoxyallose |
no configuration variants are populated | Annooo (acyclic), onnodo (pyranose), onndoo (furanose) |
 alloIno | nsu* | ino | 0 | 0 | 112222111111 | allo-inositol (cis-1,2-trans-3,4,5,6-cyclohexanehexol) |
no configuration variants are populated | oooooo (acyclic) |
 Allyl | mva* | | 7 | 3 | *OCC=C212 | allyl alcohol |
Allyl
| 81
| 81
| [CH2]=[CH][CH2]O oDD
|
 aLnn | mva* | lip | 1 | 1 | *OCCCCCCCCC=^XCCC=^XCCC=^XCCC/3=O/022222221121121123 | (9,12,15)-linolenic acid (9,12,15-octadecatrienoic acid) |
aLnn
| 20
| 13
| [CH3][CH2][CH]=[CH][CH2][CH]=[CH][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdDDdDDdd
|
 Alt | hex | ald | 53 | 26 | ?1222h111112 | altrose |
b-D-Altp b-L-Altp a-L-Altf b-D-Altf a-L-Altp b-?-Altp
| 38 2 2 1 1 1
| 38 2 2 1 1 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 oooodo
[CH2](O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodo
[CH2](O)[C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ooodoo
[CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1 ooodoo
[CH2](O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodo
2 variants possible; use an icon → oooodo
|
 Alt-ol | hex | ol | 0 | 0 | h1222h211112 | altritol |
no configuration variants are populated | oooooo (acyclic) |
 AltA | hex | ald | 41 | 18 | ?1222A111110 | altruronic acid |
b-D-AltpA a-L-AltpA
| 20 6
| 20 6
| [C](=O)(O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ooooda
[C](=O)(O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ooooda
|
 AltN | hex | ald | 0 | 0 | ?1222h_2*N111112 | 2-amino-2-deoxyaltrose |
no configuration variants are populated | Anoooo (acyclic), onoodo (pyranose), onodoo (furanose) |
 AltN3N | hex | ald | 0 | 0 | ?1222h_2*N_3*N111112 | 2,3-diamino-2,3-dideoxyaltrose |
no configuration variants are populated | Annooo (acyclic), onnodo (pyranose), onndoo (furanose) |
 Am | mva* | | 115 | 65 | *OCC/3=N13 | acetimidic acid (HO-C(=NH)-CH3) |
Am
| 233
| 217
| [CH3][C](=N)O ad
|
 Ami | hex | ald | 1 | 1 | ?dd22m122113 | 2,3,6-trideoxy-erythro-hexose (amicetose, default: D) |
b-D-Amip a-L-Amip
| 3 3
| 3 3
| [CH3][C@@H](O1)[C@@H](O)[CH2][CH2][C@H](O)1 oddodd
[CH3][C@H](O1)[C@H](O)[CH2][CH2][C@H](O)1 oddodd
|
 ANY | * | | 7 | 3 | | superclass: any residue |
ANY
| 200
| 111
| <ANY>
|
 Api | pen | ald | 1 | 1 | ?26h_3*CO11022 | apiose (3-C-(hydroxymethyl)-D/L-glycero-tetrose) |
b-D-Apif ?-?-Apif a-L-Apif ?-?-Api? a-D-Apif a-L-Api? b-?-Apif b-D-Api?
| 268 13 6 2 2 2 1 1
| 258 10 6 2 2 2 1 1
| [CH2](O1)[C@@]([CH2]O)(O)[C@@H](O)[C@H](O)1 ooodo
2 variants possible; use an icon → ooodo
[CH2](O1)[C@]([CH2]O)(O)[C@H](O)[C@H](O)1 ooodo
2 variants possible; use an icon → ?oo?o
[CH2](O1)[C@@]([CH2]O)(O)[C@@H](O)[C@@H](O)1 ooodo
[CH2](O1)[C@]([CH2]O)(O)[C@H](O)[C@H](O)1 ?oo?o
2 variants possible; use an icon → ooodo
[CH2](O1)[C@@]([CH2]O)(O)[C@@H](O)[C@H](O)1 ?oo?o
|
 Apigenin | nsu* | | 8 | 7 | @apigenin~0010010100011011 | 5,7,4'-trihydroxyflavone (atom 1 is O) |
Apigenin
| 117
| 117
| O=C(C1=[C](O)[CH]=[C](O)[CH]=C1O2)[CH]=C2C3=CC=[C](O)C=C3 .DDxODODDDDDDODD
|
 Ara | pen | ald | 3146 | 125 | ?122h11112 | arabinose |
a-L-Arap a-D-Araf a-L-Araf b-D-Araf ?-L-Araf ?-D-Araf ?-?-Araf b-L-Araf b-L-Arap ?-?-Arap b-D-Arap ?-?-Ara? a-L-Ara? a-D-Arap ?-L-Arap ?-L-Ara? a-?-Araf a-?-Arap b-?-Arap ?-D-Ara? b-?-Araf ?-D-Arap b-L-Ara? a-D-Ara? a-?-Ara? b-?-Ara?
| 1167 772 704 211 105 96 67 45 44 44 43 39 37 26 26 24 23 17 11 4 4 3 2 2 1 1
| 1077 144 432 83 55 45 32 32 40 19 37 23 24 21 16 23 12 17 11 4 3 3 1 2 1 1
| [CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ooood
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)1 ooodo
[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ooodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)1 ooodo
[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ooodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH](O)1 ooodo
2 variants possible; use an icon → ooodo
[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ooodo
[CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ooood
2 variants possible; use an icon → ooood
[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ooood
4 variants possible; use an icon → ?oo??
2 variants possible; use an icon → ?oo??
[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ooood
[CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ooood
3 variants possible; use an icon → ?oo??
2 variants possible; use an icon → ooodo
2 variants possible; use an icon → ooood
2 variants possible; use an icon → ooood
3 variants possible; use an icon → ?oo??
2 variants possible; use an icon → ooodo
[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1 ooood
2 variants possible; use an icon → ?oo??
2 variants possible; use an icon → ?oo??
4 variants possible; use an icon → ?oo??
4 variants possible; use an icon → ?oo??
|
 Ara-ol | pen | ol | 57 | 30 | h122h21112 | arabinitol |
D-Ara-ol ?-Ara-ol L-Ara-ol
| 78 20 6
| 74 20 6
| [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[CH2](O) ooooo
2 variants possible; use an icon → ooooo
[CH2](O)[C@H](O)[C@H](O)[C@@H](O)[CH2](O) ooooo
|
 Ara4N | pen | ald | 263 | 85 | ?122h_4*N11112 | 4-amino-4-deoxyarabinose |
b-L-Arap4N ?-L-Arap4N ?-?-Arap4N a-L-Arap4N b-L-Ara?4N b-D-Ara?4N ?-L-Ara?4N ?-?-Ara?4N a-L-Ara?4N
| 453 40 21 13 4 3 1 1 1
| 351 28 15 10 3 3 1 1 1
| [CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)1 ooond
[CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[CH](O)1 ooond
2 variants possible; use an icon → ooond
[CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[C@H](O)1 ooond
[CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)1 ?oon?
[CH2](O1)[C@@H](N)[C@@H](O)[C@H](O)[C@H](O)1 ?oon?
[CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[CH](O)1 ?oon?
2 variants possible; use an icon → ?oon?
[CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[C@H](O)1 ?oon?
|
 Asc | hex* | ald | 5 | 4 | ?2d11m112113 | 3,6-dideoxy-L-arabino-hexose (ascarilose), 3dRha=3,6dAlt |
a-Ascp a-Asc? ?-Asc? a-Ascf ?-Ascp
| 10 3 1 1 1
| 9 3 1 1 1
| [CH3][C@H](O1)[C@H](O)[CH2][C@@H](O)[C@H](O)1 oododd
2 variants possible; use an icon → ?od??d
2 variants possible; use an icon → ?od??d
[CH3][C@H](O)[C@H](O1)[CH2][C@@H](O)[C@H](O)1 ooddod
[CH3][C@H](O1)[C@H](O)[CH2][C@@H](O)[CH](O)1 oododd
|
 Asn | nsu | pep | 71 | 47 | A2dA_2*N_4*N0120 | asparagine |
?-Asn L-Asn
| 117 89
| 116 84
| [C](=O)(N)[CH2][CH](N)[C](=O)O andN [C](=O)(N)[CH2][C@H](N)[C](=O)O andN
|
 Asp | nsu | pep | 7 | 7 | A2dA_2*N0120 | aspartic acid |
D-Asp ?-Asp L-Asp
| 15 6 5
| 15 6 5
| [C](=O)(O)[CH2][C@@H](N)[C](=O)O anda [C](=O)(O)[CH2][CH](N)[C](=O)O anda [C](=O)(O)[CH2][C@H](N)[C](=O)O anda
|
 aThr | nsu | pep | 10 | 6 | A22m_2*N0113 | allothreonine (2S,3S) |
D-aThr L-aThr ?-aThr
| 65 3 2
| 64 3 2
| [CH3][C@@H](O)[C@@H](N)[C](=O)O anod [CH3][C@H](O)[C@H](N)[C](=O)O anod 2 variants possible; use an icon → anod
|
 Beh | mva* | lip | 1 | 1 | *OCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222223 | behenic acid (docosanoic) |
Beh
| 13
| 12
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddddddd
|
 Bn | mva* | | 17 | 5 | *OC(CC^ZCC^ZCC^Z$4)0111112 | benzoic alcohol |
Bn
| 34
| 34
| [CH]1=[CH][CH]=[CH][CH]=[C]1[CH2]O DDDDDDo
|
 Bu | mva* | alk | 11 | 8 | *OCCCC2223 | butanol |
Bu
| 18
| 18
| [CH3][CH2][CH2][CH2]O oddd
|
 But | mva* | lip | 55 | 20 | *OCCCC/3=O0223 | butyric acid |
But
| 36
| 36
| [CH3][CH2][CH2][C](=O)O addd
|
 Bz | mva* | | 5 | 1 | *OC(CC^ZCC^ZCC^Z$4)/3=O0111110 | benzoic acid |
Bz
| 172
| 149
| [CH]1=[CH][CH]=[CH][CH]=[C]1[C](=O)O DDDDDDa
|
 C12={5} | mva* | lip | 22 | 7 | *OCCCCC=^XCCCCCCC/3=O022211222223 | dodec-5-enoic acid |
C12={5}
| 13
| 12
| [CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O adddDDdddddd
|
 C12={6} | mva* | lip | 1 | 1 | *OCCCCCC=^XCCCCCC/3=O022221122223 | dodec-6-enoic acid |
C12={6}
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDddddd
|
 C13={6} | mva* | lip | 1 | 1 | *OCCCCCC=^XCCCCCCC/3=O0222211222223 | tridec-6-enoic acid |
C13={6}
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDdddddd
|
 C13 | mva* | lip | 6 | 4 | *OCCCCCCCCCCCCC/3=O0222222222223 | tridecanoic acid |
C13
| 8
| 6
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddd
|
 C14={5} | mva* | lip | 1 | 1 | *OCCCCC=^XCCCCCCCCC/3=O02221122222223 | tetradec-5-enoic acid |
C14={5}
| 3
| 3
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O adddDDdddddddd
|
 C14={6} | mva* | lip | 5 | 3 | *OCCCCCC=^XCCCCCCCC/3=O02222112222223 | tetradec-6-enoic acid |
C14={6}
| 4
| 3
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDddddddd
|
 C14={7} | mva* | lip | 23 | 8 | *OCCCCCCC=^XCCCCCCC/3=O02222211222223 | tetradec-7-enoic acid |
C14={7}
| 13
| 12
| [CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddDDdddddd
|
 C14={8} | mva* | lip | 1 | 1 | *OCCCCCCCC=^XCCCCCC/3=O02222221122223 | tetradec-8-enoic acid |
C14={8}
| 2
| 2
| [CH3][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddDDddddd
|
 C15={6} | mva* | lip | 1 | 1 | *OCCCCCC=^XCCCCCCCCC/3=O022221122222223 | pentadec-6-enoic acid |
C15={6}
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDdddddddd
|
 C15 | mva* | lip | 22 | 5 | *OCCCCCCCCCCCCCCC/3=O022222222222223 | pentadecanoic acid |
C15
| 33
| 26
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddd
|
 C16={11} | mva* | lip | 5 | 3 | *OCCCCCCCCCCC=^XCCCCC/3=O0222222222112223 | hexadec-11-enoic acid |
C16={11}
| 6
| 6
| [CH3][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddDDdddd
|
 C16={6} | mva* | lip | 8 | 5 | *OCCCCCC=^XCCCCCCCCCC/3=O0222211222222223 | hexadec-6-enoic acid |
C16={6}
| 5
| 5
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDddddddddd
|
 C16={?,?} | mva* | lip | 2 | 2 | @C16{=,=}0??????????????3 | hexadecadienoic acid |
C16={?,?}
| 17
| 15
| a???????????????
|
 C17={6} | mva* | lip | 1 | 1 | *OCCCCCC=^XCCCCCCCCCCC/3=O02222112222222223 | heptadec-6-enoic acid |
C17={6}
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDdddddddddd
|
 C18={6} | mva* | lip | 1 | 1 | *OCCCCCC=^XCCCCCCCCCCCC/3=O022221122222222223 | octadec-6-enoic acid |
C18={6}
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDddddddddddd
|
 C18={?} | mva* | lip | 30 | 13 | @C18{=}0????????????????3 | octadecenoic acid |
C18={?}
| 37
| 36
| a?????????????????
|
 C18={t9} | mva* | lip | 32 | 2 | *OCCCCCCCCC=^ECCCCCCCCC/3=O/022222221122222223 | trans-9-octadecenoic acid |
C18={t9}
| 19
| 17
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddddd
|
 C18c{9,11} | mva* | lip | 0 | 0 | *OCCCCCCCCCCCCCCCCC/12C$11/3=O022222221212222223 | cyclo-9,11-octadecanoic acid |
no configuration variants are populated | addddddddddddddddd (acyclic) |
 C | nsu* | | 2 | 1 | *OCO*/3=O | carbonic acid |
C
| 39
| 5
| [C](O)(O)=O a
|
 Caf | nsu* | | 3 | 3 | *9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8O*3/3=O010011110 | caffeic acid (E-3-(3,4-dihydroxyphenyl)-2-propenoic) |
Caf
| 262
| 260
| [CH]1=[CH][C](O)=[C](O)[CH]=[C]1/[CH]=[CH]/[C](=O)O DDOODDDDa
|
 Caryophyllose | dod* | ald | 8 | 5 | ?2d21d222m_4*1C^RC/2O*2112012111313 | 3,6,10-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-erythro-D-gulo-decose |
a-Caryophyllosep b-Caryophyllosep ?-Caryophyllosep ?-Caryophyllose? Caryophyllosea
| 19 2 2 1 1
| 13 2 2 1 1
| [CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[C@@H](O)1 oodoodoooddd
[CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[C@H](O)1 oodoodoooddd
[CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[CH](O)1 oodoodoooddd
2 variants possible; use an icon → ?odoodoood?d
[CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C@@]([C@H](O)[CH3])(O)[CH2][C@@H](O)[CH]=O Aodoodooodod
|
 Caryose | non* | ald | 2 | 1 | ?1d61215m112011103 | 4,8-cyclo-3,9-dideoxy-L-erythro-D-ido-nonose |
b-Caryosep b-Caryose? ?-Caryose?
| 22 3 1
| 4 1 1
| [CH3][C@]2(O)[C@H](O)[C@@H](O)[C@H](O1)[C@@]2(O)[CH2][C@H](O)[C@H](O)1 oododoood
[CH3][C@]2(O)[C@H](O)[C@@H](O)[C@H](O1)[C@@]2(O)[CH2][C@H](O)[C@H](O)1 ?odo?oood
2 variants possible; use an icon → ?odo?oood
|
 Ccr | mva* | lip | 1 | 1 | *OCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222222223 | carboceric acid (heptacosanoic acid) |
Ccr
| 7
| 7
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddddddddddd
|
 cdPam | mva* | lip | 3 | 3 | *OCCCCCCCCC=^ZCCCCCCC/3=O0222222211222223 | cis-palmitoleic (hexadecenoic) acid |
cdPam
| 13
| 12
| [CH3][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddd
|
 CER | nsu* | lip | 17 | 9 | @CERAMIDE | superclass: ceramide (N-acylated sphyngoid) |
CER
| 190
| 190
| <ANY>
|
 Ceroplastic | mva* | lip | 0 | 0 | *OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222222222222223 | ceroplastic acid (pentatriacontanoic acid) |
no configuration variants are populated | adddddddddddddddddddddddddddddddddd (acyclic) |
 CetEtN | nsu | | 2 | 2 | *1OCCNC^XCO*3/7=O/6C22130 | 2-(1-carboxyethylamino)ethanol [N-(2-hydroxyethyl)alanine] |
R-CetEtN
| 6
| 6
| [CH3][C@@H](N[CH2][CH2]O)[C](=O)O oxnda
|
 Cho | nsu* | | 110 | 34 | *OCCNC/5C/5C22? | choline (2-(trimethylammonio)ethanol) |
Cho
| 311
| 234
| C[N+](C)(C)[CH2][CH2]O odx
|
 Cin | nsu* | | 7 | 3 | *OCC=^EC(CC^ZCC^ZCC^Z$4)/3=O011111110 | cinnamic acid (E-3-phenylprop-2-enoic) |
Cin
| 92
| 89
| [CH]1=[CH][CH]=[CH][CH]=[C]1/[CH]=[CH]/[C](=O)O DDDDDDDDa
|
 cis-Sph | nsu* | sph | 0 | 0 | *1OCC^SC^RC=^ZCCCCCCCCCC/5O*3/4N*2 | any cis-sphingenine (2S,3R,4Z-2-amino-4-en-1,3-diol) (4Z-sphingenine) |
no configuration variants are populated | |
 cis-SphC16 | nsu* | sph | 0 | 0 | *1OCC^SC^RC=^ZCCCCCCCCCCCC/5O*3/4N*22111122222222223 | cis-hexadecasphingosine |
no configuration variants are populated | onoDDddddddddddd (acyclic) |
 cis-SphC20 | nsu* | sph | 0 | 0 | *1OCC^SC^RC=^ZCCCCCCCCCCCCCCCC/5O*3/4N*221111222222222222223 | cis-icosasphingosine |
no configuration variants are populated | onoDDddddddddddddddd (acyclic) |
 cis-SphC22 | nsu* | sph | 0 | 0 | *1OCC^SC^RC=^ZCCCCCCCCCCCCCCCCCC/5O*3/4N*22111122222222222222223 | cis-sphingosine C22 |
no configuration variants are populated | onoDDddddddddddddddddd (acyclic) |
 cisIno | nsu* | ino | 0 | 0 | 111111111111 | cis-inositol (cis-1,2,3,4,5,6-cyclohexanehexol) |
no configuration variants are populated | oooooo (acyclic) |
 Cm | mva* | | 20 | 12 | *NCO/3=O | carbamic acid (H2N-COOH) (WURCS is given for N-linked Cm) |
Cm
| 204
| 176
| [C](=O)(O)N ?
|
 Col | hex* | ald | 53 | 27 | ?1d21m112113 | 3,6-dideoxy-L-xylo-hexose (colitose), 3dFuc=3,6dGul |
a-Colp a-Col? ?-Colp b-Colp
| 138 10 1 1
| 91 10 1 1
| [CH3][C@H](O1)[C@@H](O)[CH2][C@H](O)[C@H](O)1 oododd
2 variants possible; use an icon → ?od??d
[CH3][C@H](O1)[C@@H](O)[CH2][C@H](O)[CH](O)1 oododd
[CH3][C@H](O1)[C@@H](O)[CH2][C@H](O)[C@@H](O)1 oododd
|
 Crt | mva* | lip | 15 | 8 | *OCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222223 | cerotic acid (hexacosanoic acid) |
Crt
| 28
| 25
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddddddddddd
|
 Cyanidin | nsu* | | 1 | 1 | @cyanidin~0001010100010011 | 3,3',4',5,7-pentahydroxyflavylium (atom 1 is O) |
Cyanidin
| 86
| 86
| O[C]1=C(C2=CC=[C](O)[C](O)=C2)[O+]=C3[CH]=[C](O)[CH]=[C](O)C3=C1 .DODODODDDDDOODD
|
 Cys | nsu | pep | 3 | 3 | A2h_2*N_3*S012 | cysteine |
L-Cys ?-Cys
| 10 4
| 10 4
| [CH2](S)[C@H](N)[C](=O)O anh [CH2](S)[CH](N)[C](=O)O anh
|
 d2Ach | mva* | lip | 0 | 0 | *OCCCCCCCC=^XCCC=^XCCCCCCCCC/3=O02222221121122222223 | 8,11-icosadienoic acid |
no configuration variants are populated | addddddDDdDDdddddddd (acyclic) |
 d3Ach | mva* | lip | 0 | 0 | *OCCCCC=^XCCC=^XCCC=^XCCCCCCCCC/3=O02221121121122222223 | 5,8,11-icosatrienoic acid |
no configuration variants are populated | adddDDdDDdDDdddddddd (acyclic) |
 d4Ach | mva* | lip | 0 | 0 | *OCCCCC=^XCCC=^XCCC=^XCCC=^XCCCCCC/3=O02221121121121122223 | arachidonic acid (5,8,11,14-icosatetraenoic acid) |
no configuration variants are populated | adddDDdDDdDDdDDddddd (acyclic) |
 Dco | mva* | lip | 55 | 29 | *OCCCCCCCCCC/3=O0222222223 | capric acid (decanoic acid) |
Dco
| 97
| 72
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddd
|
 DD3,9dgulNon5N7N-ulosonic | non* | ket | 0 | 0 | A?d22122m_5*N_7*N002111113 | 5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-gulo-non-2-ulosonic acid |
no configuration variants are populated | axdononod (acyclic), aodondnod (pyranose) |
 DD3,9dthraltNon-onic | non* | opn | 2 | 2 | A1d22212m012111113 | 3,9-dideoxy-D-threo-D-altro-nononic acid |
DD3,9dthraltNon-onic
| 4
| 4
| [CH3][C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[CH2][C@H](O)[C](=O)(O) aodoooood
|
 DDaltHep | hep* | ald | 4 | 4 | ?12222h1111112 | D-glycero-D-altro-heptose |
a-DDaltHepp a-DDaltHep?
| 4 2
| 4 2
| [CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 oooodoo
2 variants possible; use an icon → ?oo??oo
|
 DDgalHep | hep* | ald | 25 | 4 | ?21122h1111112 | D-glycero-D-galacto-heptose |
b-DDgalHepp a-DDgalHepp
| 28 4
| 10 4
| [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodoo
[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodoo
|
 DDHEP | hep* | sug | 0 | 0 | QQQQ22Q | superclass: DD-heptose |
no configuration variants are populated | |
 DDidoHep-ol | hep* | ol | 1 | 1 | h12122h2111112 | D-glycero-D-ido-heptitol |
DDidoHep-ol
| 1
| 1
| [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[CH2](O) ooooooo
|
 DDmanHep | hep* | ald | 318 | 87 | ?11222h1111112 | D-glycero-D-manno-heptose |
a-DDmanHepp b-DDmanHepp ?-DDmanHepp ?-DDmanHep?
| 1030 22 19 3
| 668 22 13 3
| [CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 oooodoo
[CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 oooodoo
[CH2](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 oooodoo
3 variants possible; use an icon → ?oo??oo
|
 DDmanHep-ol | hep* | ol | 6 | 1 | h11222h2111112 | D-glycero-D-manno-heptitol |
DDmanHep-ol
| 1
| 1
| [CH2](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH2](O) ooooooo
|
 DEC | dec* | sug | 0 | 0 | QQQQQQQQQQ | superclass: decose |
no configuration variants are populated | |
 Dec | mva* | alk | 7 | 4 | *OCCCCCCCCCC2222222223 | decanol |
Dec
| 11
| 11
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O oddddddddd
|
 Des | oct* | ald | 0 | 0 | ?21d2m_3*NC/2C11121333 | 3-dimethylamino-3,4,6-trideoxy-D-xylo-hexose (desosamine) |
no configuration variants are populated | Aondoddd (acyclic), oonddddd (pyranose) |
 Dig | hex | ald | 38 | 8 | ?d222m121113 | 2,6-dideoxy-ribo-hexose (digitoxose, 2d6d-All = 2d6d-Alt), 3OMe-derivative = cymarose |
b-D-Digp b-?-Digp a-L-Digp a-?-Digp b-L-Digp D-Diga ?-D-Dig?
| 598 78 46 31 15 5 2
| 298 38 32 16 14 3 2
| [CH3][C@@H](O1)[C@@H](O)[C@@H](O)[CH2][C@H](O)1 odoodd
2 variants possible; use an icon → odoodd
[CH3][C@H](O1)[C@H](O)[C@H](O)[CH2][C@H](O)1 odoodd
2 variants possible; use an icon → odoodd
[CH3][C@H](O1)[C@H](O)[C@H](O)[CH2][C@@H](O)1 odoodd
[CH3][C@@H](O)[C@@H](O)[C@@H](O)[CH2][CH]=O Adoood
3 variants possible; use an icon → ?do??d
|
 DL3,9dgalNon5N7N-ulosonic | non* | ket | 3 | 3 | A?d12212m_5*N_7*N002111113 | 5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-galacto-non-2-ulosonic acid |
a-DL3,9dgalNonp5N7N-ulosonic b-DL3,9dgalNon?5N7N-ulosonic ?-DL3,9dgalNon?5N7N-ulosonic a-DL3,9dgalNon?5N7N-ulosonic b-DL3,9dgalNonp5N7N-ulosonic ?-DL3,9dgalNonp5N7N-ulosonic
| 9 4 3 2 2 1
| 9 4 3 2 2 1
| [CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C@](O)1[C](=O)(O) aodondnod
[CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C@@](O)1[C](=O)(O) a?don?nod
[CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C](O)1[C](=O)(O) a?don?nod
[CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C@](O)1[C](=O)(O) a?don?nod
[CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C@@](O)1[C](=O)(O) aodondnod
[CH3][C@@H](O)[C@H](N)[C@@H](O1)[C@@H](N)[C@H](O)[CH2][C](O)1[C](=O)(O) aodondnod
|
 DL3,9dglcNon5N7N-ulosonic | non* | ket | 11 | 6 | A?d12112m_5*N_7*N002111113 | 8-epifusaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-gluco-nonulosonic) |
b-DL3,9dglcNonp5N7N-ulosonic
| 6
| 6
| [CH3][C@H]([C@@H]([C@@H]1O[C@@]([C](O)=O)([CH2][C@H]([C@@H]1N)O)O)N)O aodondnod
|
 DLglcHep | hep* | ald | 23 | 11 | ?12112h1111112 | D-glycero-L-gluco-heptose |
a-DLglcHepp b-DLglcHepp ?-DLglcHepp ?-DLglcHep?
| 10 6 1 1
| 10 6 1 1
| [CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1 oooodoo
[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 oooodoo
[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1 oooodoo
3 variants possible; use an icon → ?oo??oo
|
 DLmanHep | hep* | ald | 0 | 0 | ?22112h1111112 | D-glycero-L-manno-heptose |
no configuration variants are populated | Aoooooo (acyclic), oooodoo (pyranose), ooodooo (furanose) |
 dPam | mva* | lip | 10 | 6 | *OCCCCCCCCC=^XCCCCCCC/3=O0222222211222123 | palmitoleic acid (hexadecenoic acid) |
dPam
| 22
| 22
| [CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddd
|
 epiIno | nsu* | ino | 0 | 0 | 122222111111 | epi-inositol (cis-1-trans-2,3,4,5,6-cyclohexanehexol) |
no configuration variants are populated | oooooo (acyclic) |
 Eru | tet | ket | 0 | 0 | hO2h2012 | erythrulose |
no configuration variants are populated | oxoo (acyclic) |
 Erwiniose | dec* | ald | 8 | 5 | ?2d21d2m_4*1C^RC/2O*21120121313 | 3,6,8-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-gulo-octose |
b-Erwiniose? a-Erwiniose?
| 8 2
| 8 1
| [CH3][C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[C@H](O)1 ?odo?dodod
[CH3][C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[C@@H](O)1 ?odoodod?d
|
 Ery-ol | tet | ol | 304 | 51 | h22h2112 | erythritol |
D-Ery-ol ?-Ery-ol L-Ery-ol
| 125 36 28
| 125 36 28
| [CH2](O)[C@@H](O)[C@@H](O)[CH2](O) oooo
2 variants possible; use an icon → oooo
[CH2](O)[C@H](O)[C@H](O)[CH2](O) oooo
|
 Ery-onic | tet | opn | 5 | 4 | A22h0112 | erythronic acid |
D-Ery-onic L-Ery-onic ?-Ery-onic
| 11 4 3
| 11 4 3
| [CH2](O)[C@@H](O)[C@@H](O)[C](=O)O aooo
[CH2](O)[C@H](O)[C@H](O)[C](=O)O aooo
2 variants possible; use an icon → aooo
|
 EryN | tet | ald | 0 | 0 | ?22h_2*N1112 | 2-amino-2-deoxyerythrose |
no configuration variants are populated | onoo (acyclic), onod (furanose) |
 eryPen-4-ulo | pen | ald | 0 | 0 | ?22Oh11102 | erythro-pentos-4-ulose (ald function at C1, keto at C4) |
no configuration variants are populated | Aooxo (acyclic), oooxd (pyranose) |
 eSte | mva* | lip | 0 | 0 | *OCCCCCCCCC=^XCC=^XCC=^XCCCCC/3=O/022222221111112223 | eleostearic acid (9,11,13-octadecatrienoic acid) |
no configuration variants are populated | adddddddDDDDDDdddd (acyclic) |
 Et | mva* | alk | 29 | 16 | *OCC23 | ethanol |
Et
| 46
| 46
| [CH3][CH2]O od
|
 EtN | nsu* | | 596 | 281 | *1OCCN*222 | 2-aminoethanol (ethanolamine) |
EtN
| 1988
| 1501
| [CH2](N)[CH2](O) on
|
 Etg | di* | ol | 7 | 4 | hh22 | ethylene glycol |
Etg
| 38
| 31
| [CH2](O)[CH2](O) oo
|
 Fo | mva* | | 268 | 45 | *OC=O | formic acid |
Fo
| 216
| 161
| [CH](=O)O a
|
 Fru | hex | ket | 626 | 88 | h?122h201112 | fructose (arabino-hex-2-ulose) |
b-D-Fruf a-D-Fruf b-D-Frup ?-D-Fru? ?-D-Fruf b-?-Fruf ?-D-Frup
| 545 25 9 9 5 1 1
| 351 24 9 9 5 1 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@](O)1[CH2](O) oooodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@](O)1[CH2](O) oooodo
[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@](O)1[CH2](O) oooood
3 variants possible; use an icon → o?oo??
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C](O)1[CH2](O) oooodo
2 variants possible; use an icon → oooodo
[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C](O)1[CH2](O) oooood
|
 Fuc | hex | ald | 969 | 377 | ?2112m111113 | 6-deoxygalactose (fucose) |
a-L-Fucp b-D-Fucp a-D-Fucp a-?-Fucp b-L-Fucp ?-L-Fucp a-?-Fuc? a-D-Fucf ?-L-Fuc? a-L-Fuc? ?-?-Fucp ?-?-Fuc? b-D-Fucf ?-D-Fuc? ?-D-Fucp b-L-Fuc? b-?-Fucp a-D-Fuc? b-?-Fucf
| 1582 427 157 74 69 51 44 32 25 22 19 18 5 4 4 2 2 1 1
| 1174 418 131 59 56 42 40 26 25 18 19 16 5 4 4 2 2 1 1
| [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 oooodd
[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodd
[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodd
2 variants possible; use an icon → oooodd
[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 oooodd
[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1 oooodd
4 variants possible; use an icon → ?oo??d
[CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ooodod
3 variants possible; use an icon → ?oo??d
2 variants possible; use an icon → ?oo??d
2 variants possible; use an icon → oooodd
4 variants possible; use an icon → ?oo??d
[CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ooodod
2 variants possible; use an icon → ?oo??d
[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 oooodd
2 variants possible; use an icon → ?oo??d
2 variants possible; use an icon → oooodd
2 variants possible; use an icon → ?oo??d
2 variants possible; use an icon → ooodod
|
 Fuc1N-ol | hex | ol | 1 | 1 | h2112m_1*N211113 | 1-amino-1,6-dideoxy-D-galactitol |
?-Fuc1N-ol
| 2
| 2
| 2 variants possible; use an icon → nooood
|
 Fuc3N | hex | ald | 89 | 51 | ?2112m_3*N111113 | 3-amino-3,6-dideoxygalactose |
a-D-Fucp3N b-D-Fucp3N ?-?-Fucp3N a-?-Fucp3N a-L-Fucp3N ?-D-Fucp3N b-L-Fucp3N ?-D-Fuc?3N
| 130 61 5 5 4 2 2 1
| 105 60 4 4 4 2 2 1
| [CH3][C@@H](O1)[C@H](O)[C@H](N)[C@@H](O)[C@@H](O)1 oonodd
[CH3][C@@H](O1)[C@H](O)[C@H](N)[C@@H](O)[C@H](O)1 oonodd
2 variants possible; use an icon → oonodd
2 variants possible; use an icon → oonodd
[CH3][C@H](O1)[C@@H](O)[C@@H](N)[C@H](O)[C@H](O)1 oonodd
[CH3][C@@H](O1)[C@H](O)[C@H](N)[C@@H](O)[CH](O)1 oonodd
[CH3][C@H](O1)[C@@H](O)[C@@H](N)[C@H](O)[C@@H](O)1 oonodd
3 variants possible; use an icon → ?on??d
|
 Fuc4N | hex | ald | 59 | 22 | ?2112m_4*N111113 | 4-amino-4,6-dideoxygalactose (thomosamine if D) |
a-D-Fucp4N a-L-Fucp4N a-D-Fuc?4N b-D-Fucp4N b-?-Fucp4N ?-D-Fucp4N
| 62 4 3 3 2 1
| 59 4 3 3 2 1
| [CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)1 ooondd
[CH3][C@H](O1)[C@@H](N)[C@@H](O)[C@H](O)[C@H](O)1 ooondd
[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)1 ?oon?d
[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[C@H](O)1 ooondd
2 variants possible; use an icon → ooondd
[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[CH](O)1 ooondd
|
 FucN | hex | ald | 540 | 212 | ?2112m_2*N111113 | 2-amino-2,6-dideoxygalactose |
a-L-FucpN a-D-FucpN b-D-FucpN b-L-FucpN ?-L-FucpN ?-D-Fuc?N a-D-Fuc?N b-L-FucfN ?-D-FucpN ?-L-Fuc?N a-L-FucfN b-D-FucfN a-?-FucpN b-D-Fuc?N ?-?-FucpN
| 426 131 92 10 6 5 4 4 4 2 1 1 1 1 1
| 360 127 92 8 6 5 4 4 4 2 1 1 1 1 1
| [CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@H](O)1 onoodd
[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onoodd
[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1 onoodd
[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@@H](O)1 onoodd
[CH3][C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[CH](O)1 onoodd
3 variants possible; use an icon → ?no??d
2 variants possible; use an icon → ?no??d
[CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)1 onodod
[CH3][C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1 onoodd
3 variants possible; use an icon → ?no??d
[CH3][C@H](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](O)1 onodod
[CH3][C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](O)1 onodod
2 variants possible; use an icon → onoodd
2 variants possible; use an icon → ?no??d
2 variants possible; use an icon → onoodd
|
 FucN4N | hex | ald | 118 | 59 | ?2112m_2*N_4*N111113 | 2,4-diamino-2,4,6-trideoxygalactose |
b-D-FucpN4N a-D-FucpN4N b-L-FucpN4N a-L-FucpN4N
| 111 104 7 3
| 94 98 7 3
| [CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](N)[C@H](O)1 onondd
[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](N)[C@@H](O)1 onondd
[CH3][C@H](O1)[C@@H](N)[C@@H](O)[C@H](N)[C@@H](O)1 onondd
[CH3][C@H](O1)[C@@H](N)[C@@H](O)[C@H](N)[C@H](O)1 onondd
|
 Fucl | hex | ket | 0 | 0 | h?112m201113 | 6-deoxy-tagatose (fucolose when L) |
no configuration variants are populated | oxoood (acyclic), oooodd (furanose) |
 Fus | non* | ket | 12 | 5 | A?d12111m_5*N002111113 | fusaminic acid (5-amino-3,5,9-trideoxy-L-glycero-L-gluco-nonulosonic) |
b-Fusp
| 5
| 5
| [CH3][C@@H]([C@@H]([C@@H]1O[C@@]([C](O)=O)([CH2][C@H]([C@@H]1N)O)O)O)O aodondood
|
 Gal | hex | ald | 10897 | 2375 | ?2112h111112 | galactose |
b-D-Galp a-D-Galp b-D-Galf ?-D-Galp a-D-Galf ?-D-Gal? ?-?-Galp b-D-Gal? b-?-Galp b-?-Galf a-D-Gal? a-?-Galp ?-?-Gal? ?-D-Galf b-?-Gal? a-?-Gal? ?-?-Galf a-L-Galp a-?-Galf ?-L-Galp
| 8035 5564 1980 440 183 132 132 124 120 109 106 95 67 55 41 33 29 18 10 8
| 5365 3755 1050 225 144 127 48 91 77 53 51 56 42 42 21 10 18 14 8 5
| [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodo
[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodo
[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ooodoo
[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 oooodo
[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ooodoo
3 variants possible; use an icon → ?oo??o
2 variants possible; use an icon → oooodo
2 variants possible; use an icon → ?oo??o
2 variants possible; use an icon → oooodo
2 variants possible; use an icon → ooodoo
2 variants possible; use an icon → ?oo??o
2 variants possible; use an icon → oooodo
6 variants possible; use an icon → ?oo??o
[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH](O)1 ooodoo
4 variants possible; use an icon → ?oo??o
4 variants possible; use an icon → ?oo??o
2 variants possible; use an icon → ooodoo
[CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)1 oooodo
2 variants possible; use an icon → ooodoo
[CH2](O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[CH](O)1 oooodo
|
 Gal-ol | hex | ol | 10 | 5 | h2112h211112 | galactitol |
D-Gal-ol ?-Gal-ol
| 87 13
| 87 13
| [CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH2](O) oooooo
2 variants possible; use an icon → oooooo
|
 Gal1N | hex | ald | 1 | 1 | ?2112h_1*N111112 | 1-amino-1-deoxygalactose (used for N-glycans) |
b-D-Galp1N
| 3
| 3
| [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](N)1 nooodo
|
 Gal3N | hex | ald | 0 | 0 | ?2112h_3*N111112 | 3-amino-3-deoxygalactose |
no configuration variants are populated | Aonooo (acyclic), oonodo (pyranose), oondoo (furanose) |
 GalA | hex | ald | 620 | 261 | ?2112A111110 | galacturonic acid |
a-D-GalpA b-D-GalpA a-?-GalpA ?-D-GalpA ?-?-GalpA a-D-Gal?A b-?-GalpA ?-?-Gal?A ?-D-Gal?A b-L-GalpA
| 1365 400 110 75 20 9 7 5 4 2
| 1008 355 28 36 16 5 5 4 4 1
| [C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ooooda
[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ooooda
2 variants possible; use an icon → ooooda
[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ooooda
2 variants possible; use an icon → ooooda
2 variants possible; use an icon → ?oo??a
2 variants possible; use an icon → ooooda
4 variants possible; use an icon → ?oo??a
3 variants possible; use an icon → ?oo??a
[C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ooooda
|
 GalN | hex | ald | 1968 | 733 | ?2112h_2*N111112 | 2-amino-2-deoxygalactose |
a-D-GalpN b-D-GalpN ?-D-GalpN D-GalaN ?-D-Gal?N b-D-GalfN b-?-GalpN a-D-Gal?N ?-?-Gal?N a-?-GalpN b-D-Gal?N a-D-GalfN L-GalaN ?-?-GalpN b-?-Gal?N
| 1635 1489 68 57 29 20 15 7 6 6 5 3 2 1 1
| 1421 1282 60 57 29 20 15 7 5 3 5 3 2 1 1
| [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onoodo
[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1 onoodo
[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1 onoodo
[CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](N)[CH]=O Anoooo
3 variants possible; use an icon → ?no??o
[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](O)1 onodoo
2 variants possible; use an icon → onoodo
2 variants possible; use an icon → ?no??o
6 variants possible; use an icon → ?no??o
2 variants possible; use an icon → onoodo
2 variants possible; use an icon → ?no??o
[CH2](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](N)[C@@H](O)1 onodoo
[CH2](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](N)[CH]=O Anoooo
2 variants possible; use an icon → onoodo
4 variants possible; use an icon → ?no??o
|
 GalN-ol | hex | ol | 3 | 3 | h2112h_2*N211112 | 2-amino-2-deoxygalactitol |
D-GalN-ol ?-GalN-ol
| 11 1
| 11 1
| [CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](N)[CH2](O) onoooo
2 variants possible; use an icon → onoooo
|
 GalN1N | hex | ald | 5 | 5 | ?2112h_1*N_2*N111112 | 1,2-diamino-1,2-dideoxygalactose (used for N-glycans) |
b-D-GalpN1N ?-D-GalpN1N
| 6 1
| 6 1
| [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](N)1 nnoodo
[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](N)1 nnoodo
|
 GalN3N | hex | ald | 0 | 0 | ?2112h_2*N_3*N111112 | 2,3-diamino-2,3-dideoxygalactose |
no configuration variants are populated | Annooo (acyclic), onnodo (pyranose), onndoo (furanose) |
 GalN3NA | hex | ald | 4 | 2 | ?2112A_2*N_3*N111110 | 2,3-diamino-2,3-dideoxygalacturonic acid |
a-L-GalpN3NA a-D-GalpN3NA b-L-GalpN3NA b-D-GalpN3NA a-?-GalpN3NA
| 25 9 2 1 1
| 18 6 2 1 1
| [C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](N)[C@H](N)[C@H](O)1 onnoda
[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](N)[C@@H](N)[C@@H](O)1 onnoda
[C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](N)[C@H](N)[C@@H](O)1 onnoda
[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](N)[C@@H](N)[C@H](O)1 onnoda
2 variants possible; use an icon → onnoda
|
 GalNA | hex | ald | 357 | 131 | ?2112A_2*N111110 | 2-amino-2-deoxygalacturonic acid |
a-D-GalpNA a-L-GalpNA b-D-GalpNA a-?-GalpNA b-L-GalpNA ?-D-GalpNA ?-?-GalpNA
| 372 69 11 2 2 2 2
| 260 68 11 2 2 2 2
| [C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onooda
[C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@H](O)1 onooda
[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](O)1 onooda
2 variants possible; use an icon → onooda
[C](=O)(O)[C@H](O1)[C@@H](O)[C@@H](O)[C@H](N)[C@@H](O)1 onooda
[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1 onooda
2 variants possible; use an icon → onooda
|
 Gc | nsu* | lip | 9 | 4 | *1OCCO*2/3=O02 | glycolic acid (2-hydroxyacetic acid) |
Gc
| 78
| 56
| [CH2](O)[C](=O)O ao
|
 Geddic | mva* | lip | 0 | 0 | *OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222222222222222223 | geddic acid (tetratriacontanoic acid) |
no configuration variants are populated | addddddddddddddddddddddddddddddddd (acyclic) |
 Glc | hex | ald | 19032 | 3464 | ?2122h111112 | glucose |
b-D-Glcp a-D-Glcp ?-D-Glcp ?-D-Glc? b-?-Glcp ?-?-Glc? a-?-Glcp b-?-Glc? ?-?-Glcp a-D-Glc? b-D-Glc? a-?-Glc? b-D-Glcf a-L-Glcp a-D-Glcf b-L-Glcp ?-L-Glcp
| 23460 9140 605 236 143 111 87 84 70 58 43 28 11 6 4 2 1
| 13736 5049 368 228 67 24 57 26 42 42 43 21 5 6 3 2 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 oooodo
3 variants possible; use an icon → ?oo??o
2 variants possible; use an icon → oooodo
6 variants possible; use an icon → ?oo??o
2 variants possible; use an icon → oooodo
4 variants possible; use an icon → ?oo??o
2 variants possible; use an icon → oooodo
2 variants possible; use an icon → ?oo??o
2 variants possible; use an icon → ?oo??o
4 variants possible; use an icon → ?oo??o
[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)1 ooodoo
[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1 oooodo
[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)1 ooodoo
[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 oooodo
[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[CH](O)1 oooodo
|
 Glc-ol | hex | ol | 84 | 19 | h2122h211112 | glucitol |
D-Glc-ol ?-Glc-ol
| 142 13
| 141 13
| [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[CH2](O) oooooo
2 variants possible; use an icon → oooooo
|
 Glc1N | hex | ald | 6 | 6 | ?2122h_1*N111112 | 1-amino-1-deoxyglucose (used for N-glycans) |
b-D-Glcp1N ?-D-Glcp1N
| 46 7
| 46 7
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](N)1 nooodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](N)1 nooodo
|
 Glc1S | hex | ald | 9 | 1 | ?2122m_1*S111112 | 1-thioglucose (with C-SH bond) |
b-D-Glcp1S ?-D-Glcp1S
| 59 8
| 59 8
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](S)1 hooodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](S)1 hooodo
|
 Glc3N | hex | ald | 1 | 1 | ?2122h_3*N111112 | 3-amino-3-deoxy-glucose (kanosamine when D) |
a-D-Glcp3N
| 6
| 6
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@@H](O)1 oonodo
|
 Glc3NA | hex | ald | 1 | 1 | ?2122A_3*N111110 | 3-amino-3-deoxyglucuronic acid |
b-D-Glcp3NA
| 17
| 10
| [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@H](O)1 oonoda
|
 Glc6N | hex | ald | 2 | 2 | ?2122h_6*N111112 | 6-amino-6-deoxyglucose |
a-D-Glcp6N b-D-Glcp6N
| 3 1
| 3 1
| [CH2](N)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooodn
[CH2](N)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 oooodn
|
 GlcA | hex | ald | 1709 | 754 | ?2122A111110 | glucuronic acid |
b-D-GlcpA a-D-GlcpA ?-D-GlcpA b-?-GlcpA b-D-Glc?A a-?-GlcpA ?-?-GlcpA ?-D-Glc?A ?-?-Glc?A b-?-Glc?A a-L-GlcpA
| 2840 701 72 24 13 10 8 5 5 3 2
| 2509 654 53 23 13 10 4 5 3 3 2
| [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ooooda
[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 ooooda
[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH](O)1 ooooda
2 variants possible; use an icon → ooooda
2 variants possible; use an icon → ?oo??a
2 variants possible; use an icon → ooooda
2 variants possible; use an icon → ooooda
3 variants possible; use an icon → ?oo??a
4 variants possible; use an icon → ?oo??a
4 variants possible; use an icon → ?oo??a
[C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)1 ooooda
|
 GlcN | hex | ald | 9347 | 2297 | ?2122h_2*N111112 | 2-amino-2-deoxyglucose |
b-D-GlcpN a-D-GlcpN ?-D-GlcpN ?-D-Glc?N b-D-Glc?N a-D-Glc?N b-?-GlcpN b-?-Glc?N ?-?-GlcpN a-?-GlcpN ?-?-Glc?N a-?-Glc?N a-L-GlcpN b-L-GlcpN
| 8090 4192 433 342 76 54 41 27 20 20 15 10 1 1
| 5817 3683 392 340 69 54 25 20 18 20 15 10 1 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)1 onoodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onoodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1 onoodo
3 variants possible; use an icon → ?no??o
2 variants possible; use an icon → ?no??o
2 variants possible; use an icon → ?no??o
2 variants possible; use an icon → onoodo
4 variants possible; use an icon → ?no??o
2 variants possible; use an icon → onoodo
2 variants possible; use an icon → onoodo
6 variants possible; use an icon → ?no??o
4 variants possible; use an icon → ?no??o
[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@H](O)1 onoodo
[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@@H](O)1 onoodo
|
 GlcN-ol | hex | ol | 346 | 79 | h2122h_2*N211112 | 2-amino-2-deoxyglucitol |
D-GlcN-ol ?-GlcN-ol
| 206 2
| 206 2
| [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)[CH2](O) onoooo
2 variants possible; use an icon → onoooo
|
 GlcN-onic | hex | opn | 7 | 3 | A2122h_2*N011112 | 2-amino-2-deoxygluconic acid |
?-GlcN-onic D-GlcN-onic
| 24 5
| 24 5
| 2 variants possible; use an icon → anoooo
[CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)[C](=O)O anoooo
|
 GlcN1N | hex | ald | 59 | 35 | ?2122h_1*N_2*N111112 | 1,2-diamino-1,2-dideoxyglucose (used for N-glycans) |
b-D-GlcpN1N ?-D-GlcpN1N ?-D-Glc?N1N b-D-Glc?N1N ?-?-Glc?N1N b-?-Glc?N1N a-D-GlcpN1N ?-?-GlcpN1N
| 169 13 12 6 5 4 1 1
| 169 13 12 6 5 4 1 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](N)1 nnoodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](N)1 nnoodo
2 variants possible; use an icon → nno??o
2 variants possible; use an icon → nno??o
4 variants possible; use an icon → nno??o
4 variants possible; use an icon → nno??o
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](N)1 nnoodo
2 variants possible; use an icon → nnoodo
|
 GlcN3N | hex | ald | 171 | 44 | ?2122h_2*N_3*N111112 | 2,3-diamino-2,3-dideoxyglucose |
b-D-GlcpN3N a-D-GlcpN3N ?-D-GlcpN3N ?-D-Glc?N3N
| 102 79 4 1
| 98 79 3 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[C@H](O)1 onnodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[C@@H](O)1 onnodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[CH](O)1 onnodo
3 variants possible; use an icon → ?nn??o
|
 GlcN3NA | hex | ald | 173 | 65 | ?2122A_2*N_3*N111110 | 2,3-diamino-2,3-dideoxyglucuronic acid |
b-D-GlcpN3NA a-D-GlcpN3NA ?-D-GlcpN3NA b-L-GlcpN3NA b-?-GlcpN3NA
| 168 9 5 2 1
| 142 9 5 2 1
| [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[C@H](O)1 onnoda
[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[C@@H](O)1 onnoda
[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](N)[CH](O)1 onnoda
[C](=O)(O)[C@H](O1)[C@H](O)[C@@H](N)[C@H](N)[C@@H](O)1 onnoda
2 variants possible; use an icon → onnoda
|
 GlcNA | hex | ald | 26 | 15 | ?2122A_2*N111110 | 2-amino-2-deoxyglucuronic acid |
b-D-GlcpNA a-D-GlcpNA a-D-Glc?NA b-D-Glc?NA ?-D-GlcpNA b-L-GlcpNA ?-D-Glc?NA ?-?-Glc?NA
| 40 32 1 1 1 1 1 1
| 32 32 1 1 1 1 1 1
| [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)1 onooda
[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onooda
2 variants possible; use an icon → ?no??a
2 variants possible; use an icon → ?no??a
[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[CH](O)1 onooda
[C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@H](N)[C@@H](O)1 onooda
3 variants possible; use an icon → ?no??a
4 variants possible; use an icon → ?no??a
|
 Gln | nsu | pep | 4 | 4 | A2ddA_2*N_5*N01220 | glutamine |
D-Gln ?-Gln
| 6 3
| 6 2
| [C](=O)(N)[CH2][CH2][C@@H](N)[C](=O)O anddN [C](=O)(N)[CH2][CH2][CH](N)[C](=O)O anddN
|
 Glt | nsu* | | 0 | 0 | *OCCCCCO*/7=O/3=O02220 | glutaric acid (HOOC-CH2-CH2-CH2-COOH) |
no configuration variants are populated | addda (acyclic) |
 Glu | nsu | pep | 18 | 10 | A2ddA_2*N01220 | glutamic acid |
D-Glu ?-Glu L-Glu
| 55 39 27
| 46 28 27
| [C](=O)(O)[CH2][CH2][C@@H](N)[C](=O)O andda [C](=O)(O)[CH2][CH2][CH](N)[C](=O)O andda [C](=O)(O)[CH2][CH2][C@H](N)[C](=O)O andda
|
 Gly | nsu* | pep | 69 | 34 | Ah_2*N02 | glycine |
Gly
| 140
| 133
| [CH2](N)[C](=O)O an
|
 Gro | tri | ol | 1103 | 327 | h2h212 | glycerol |
?-Gro D-Gro L-Gro S-Gro R-Gro
| 1180 320 105 31 13
| 950 277 70 20 12
| [CH2](O)[CH](O)[CH2](O) ooo
[CH2](O)[C@@H](O)[CH2](O) ooo
[CH2](O)[C@H](O)[CH2](O) ooo
[CH2](O)[C@@H](O)[CH2](O) ooo
[CH2](O)[C@@H](O)[CH2](O) ooo
|
 Gro-al | tri | opn | 18 | 13 | o2h112 | glyceraldehyde |
?-Gro-al D-Gro-al L-Gro-al
| 28 2 1
| 28 2 1
| [CH2](O)[CH](O)[CH]=O Aoo
[CH2](O)[C@@H](O)[CH]=O Aoo
[CH2](O)[C@H](O)[CH]=O Aoo
|
 GroA | nsu | lip | 45 | 30 | A2h012 | glyceric acid (2,3-dihydroxypropanoic acid). WURCS is for 1-O(C=O)-linked Lac |
?-GroA D-GroA L-GroA
| 37 28 21
| 37 28 21
| [CH2](O)[CH](O)[C](=O)O aoo [CH2](O)[C@@H](O)[C](=O)O aoo [CH2](O)[C@H](O)[C](=O)O aoo
|
 GroN | tri | ol | 30 | 19 | h2h_2*N212 | 2-amino-2-deoxyglycerol (2-aminopropane-1,3-diol). Always D. |
?-GroN D-GroN L-GroN
| 51 5 1
| 46 5 1
| [CH2](O)[CH](N)[CH2](O) ono
[CH2](O)[C@@H](N)[CH2](O) ono
[CH2](O)[C@H](N)[CH2](O) ono
|
 Gul-ol | hex | ol | 0 | 0 | h2212h211112 | gulitol |
no configuration variants are populated | oooooo (acyclic) |
 GulA | hex | ald | 28 | 10 | ?2212A111110 | guluronic acid |
a-L-GulpA ?-L-Gul?A a-L-Gul?A b-L-GulpA
| 34 6 3 1
| 25 6 2 1
| [C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ooooda
3 variants possible; use an icon → ?oo??a
2 variants possible; use an icon → ?oo??a
[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ooooda
|
 GulN3N | hex | ald | 0 | 0 | ?2212h_2*N_3*N111112 | 2,3-diamino-2,3-dideoxygulose |
no configuration variants are populated | Annooo (acyclic), onnodo (pyranose), onndoo (furanose) |
 GulN3NA | hex | ald | 11 | 5 | ?2212A_2*N_3*N111110 | 2,3-diamino-2,3-dideoxyguluronic acid |
a-L-GulpN3NA ?-L-GulpN3NA b-D-GulpN3NA
| 35 2 2
| 34 2 2
| [C](=O)(O)[C@H](O1)[C@@H](O)[C@H](N)[C@H](N)[C@H](O)1 onnoda
[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](N)[C@H](N)[CH](O)1 onnoda
[C](=O)(O)[C@@H](O1)[C@H](O)[C@@H](N)[C@@H](N)[C@H](O)1 onnoda
|
 GulNA | hex | ald | 18 | 18 | ?2212A_2*N111110 | 2-amino-2-deoxyguluronic acid |
a-L-GulpNA b-L-GulpNA
| 44 1
| 40 1
| [C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)1 onooda
[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@@H](O)1 onooda
|
 Hep | hep | sug | 37 | 12 | | alias: heptose |
a-?-Hepp ?-?-Hepp b-?-Hepp a-?-Hep ?-D-Hepp a-D-Hepp
| 58 41 20 4 3 2
| 29 22 11 1 1 2
| ??????? ??????? ??????? ??????? ??????? ???????
|
 HEP | hep* | sug | 8 | 1 | QQQQQQQ | superclass: heptose |
HEP
| 33
| 23
| <ANY>
|
 HEX | hex* | sug | 52 | 6 | QQQQQQ | superclass: hexose |
HEX
| 23
| 9
| <ANY>
|
 Hex | hex | sug | 6 | 3 | | alias: hexose |
?-?-Hexp a-D-Hexp ?-D-Hex a-?-Hexp ?-?-Hex
| 16 3 3 2 2
| 8 2 1 2 2
| ?????? ?????? ?????? ?????? ??????
|
 Hp | mva* | alk | 0 | 0 | *OCCCCCCC2222223 | heptanol |
no configuration variants are populated | odddddd (acyclic) |
 HSer | nsu | pep | 1 | 1 | A2dh_2*N0122 | homoserine |
D-HSer
| 4
| 4
| [CH2](O)[CH2][C@@H](N)[C](=O)O ando
|
 Hx | mva* | alk | 6 | 3 | *OCCCCCC222223 | hexanol |
Hx
| 5
| 5
| [CH3][CH2][CH2][CH2][CH2][CH2]O oddddd
|
 Hxo | mva* | lip | 27 | 14 | *OCCCCCC/3=O022223 | hexanoic acid |
Hxo
| 59
| 39
| [CH3][CH2][CH2][CH2][CH2][C](=O)O addddd
|
 iBut | mva* | lip | 2 | 2 | *OCCC/4C/3=O0133 | isobutyric acid |
iBut
| 59
| 38
| [CH3][CH]([CH3])[C](=O)O addd
|
 iC13 | mva* | lip | 2 | 2 | *OCCCCCCCCCCCC/13C/3=O0222222222133 | iso-tridecanoic acid |
iC13
| 4
| 3
| [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddd
|
 iC15 | mva* | lip | 24 | 11 | *OCCCCCCCCCCCCCC/15C/3=O022222222222133 | iso-pentadecanoic acid |
iC15
| 24
| 24
| [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddd
|
 IdoA | hex | ald | 19 | 8 | ?1212A111110 | iduronic acid |
a-L-IdopA ?-?-Ido?A a-?-IdopA a-D-IdopA ?-?-IdopA
| 19 2 1 1 1
| 19 2 1 1 1
| [C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ooooda
4 variants possible; use an icon → ?oo??a
2 variants possible; use an icon → ooooda
[C](=O)(O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ooooda
2 variants possible; use an icon → ooooda
|
 IdoN3N | hex | ald | 0 | 0 | ?1212h_2*N_3*N111112 | 2,3-diamino-2,3-dideoxyidose |
no configuration variants are populated | Annooo (acyclic), onnodo (pyranose), onndoo (furanose) |
 iGln | nsu | pep | 1 | 1 | Add2A_4*N_5*N02210 | isoglutamine |
D-iGln ?-iGln
| 11 2
| 8 2
| [C](=O)(N)[C@@H](N)[CH2][CH2][C](=O)O addnn [C](=O)(N)[CH](N)[CH2][CH2][C](=O)O addnn
|
 Ile | nsu | pep | 1 | 1 | A2ddm_2*N_3*C011233 | isoleucine |
L-Ile D-Ile ?-Ile
| 5 2 1
| 5 2 1
| [CH3][CH2][C@H]([CH3])[C@H](N)[C](=O)O andddd [CH3][CH2][C@@H]([CH3])[C@@H](N)[C](=O)O andddd 2 variants possible; use an icon → andddd
|
 INO | nsu* | | 8 | 2 | QQQQQQ | superclass: any inositol |
INO
| 139
| 137
| <ANY>
|
 iPam | mva* | lip | 2 | 2 | *OCCCCCCCCCCCCCCC/16C/3=O0222222222222133 | isopalmitic acid |
iPam
| 20
| 14
| [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddd
|
 iPr | mva* | alk | 1 | 1 | *OCC/3C133 | isopropanol |
iPr
| 3
| 3
| [CH]([CH3])([CH3])O odd
|
 iVl | mva* | lip | 2 | 1 | *OCCCC/5C/3=O02133 | isovaleric acid |
iVl
| 19
| 19
| [CH3][CH]([CH3])[CH2][C](=O)O adddd
|
 Kaempferol | nsu* | | 5 | 5 | @kaempferol~0000010100011011 | 3,5,7,4'-tetrahydroxyflavone (atom 1 is O) |
Kaempferol
| 246
| 246
| O[C]1=C(C2=CC=[C](O)C=C2)OC3=C([C](O)=[CH][C](O)=[CH]3)C1=O .DOxODODDDDDDODD
|
 Kdn | non* | ket | 31 | 16 | A?d21122h002111112 | ketodeoxynononic acid (3-deoxy-D-glycero-D-galacto-non-2-ulosonic) |
a-Kdnp b-Kdnp b-Kdn? ?-Kdnp ?-Kdn?
| 26 23 4 1 1
| 26 23 4 1 1
| [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) aodoodooo
[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH2][C@](O)1[C](=O)(O) aodoodooo
2 variants possible; use an icon → a?do??ooo
[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodoodooo
3 variants possible; use an icon → a?do??ooo
|
 Kdo | oct* | ket | 789 | 330 | A?d1122h00211112 | ketodeoxyoctonic acid (3-deoxy-D-manno-oct-2-ulosonic acid) |
a-Kdop ?-Kdo? ?-Kdop a-Kdo? b-Kdop b-Kdo? ?-Kdof b-Kdof a-Kdof
| 3120 652 271 250 95 13 9 4 1
| 1904 638 203 227 88 8 9 4 1
| [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O) aodoodoo
3 variants possible; use an icon → a?do??oo
[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C](O)1[C](=O)(O) aodoodoo
2 variants possible; use an icon → a?do??oo
[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@](O)1[C](=O)(O) aodoodoo
2 variants possible; use an icon → a?do??oo
[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C](O)1[C](=O)(O) aododooo
[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C@](O)1[C](=O)(O) aododooo
[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C@@](O)1[C](=O)(O) aododooo
|
 Kdo8N | oct* | ket | 3 | 2 | A?d1122h_8*N00211112 | 8-amino-3,8-dideoxy-D-manno-oct-2-ulosonic acid |
a-Kdop8N a-Kdo?8N ?-Kdop8N ?-Kdo?8N
| 20 2 1 1
| 20 2 1 1
| [CH2](N)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O) aodoodon
2 variants possible; use an icon → a?do??on
[CH2](N)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C](O)1[C](=O)(O) aodoodon
3 variants possible; use an icon → a?do??on
|
 Ko | oct* | ket | 47 | 30 | A?11122h00111112 | ketooctonic acid (D-glycero-D-talo-oct-2-ulosonic acid) |
a-Kop ?-Kop a-Ko? ?-Ko?
| 175 6 2 2
| 175 6 2 2
| [CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@](O)1[C](=O)(O) aoooodoo
[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C](O)1[C](=O)(O) aoooodoo
2 variants possible; use an icon → a?oo??oo
3 variants possible; use an icon → a?oo??oo
|
 Lac | nsu | lip | 142 | 87 | *1OCC^XO*2/4C/3=O013 | lactic acid (2-hydroxypropanoic acid) (substituent for 2-ether: 1-carboxyethyl). WURCS is for 1-O-linked Lac |
R-Lac S-Lac ?-Lac
| 97 86 62
| 96 85 60
| [CH3][C@@H](O)[C](=O)O aod [CH3][C@H](O)[C](=O)O aod [CH3][CH](O)[C](=O)O aod
|
 Lau | mva* | lip | 360 | 174 | *OCCCCCCCCCCCC/3=O022222222223 | lauric acid (dodecanoic acid) |
Lau
| 607
| 485
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddd
|
 LDHEP | hep* | sug | 0 | 0 | QQQQ21Q | superclass: LD-heptose |
no configuration variants are populated | |
 LDidoHep | hep* | ald | 3 | 3 | ?12121h1111112 | L-glycero-D-ido-heptose |
a-LDidoHepp
| 5
| 5
| [CH2](O)[C@H](O)[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 oooodoo
|
 LDmanHep | hep* | ald | 964 | 193 | ?11221h1111112 | L-glycero-D-manno-heptose |
a-LDmanHepp ?-LDmanHepp a-LDmanHep? ?-LDmanHep? b-LDmanHepp
| 5798 74 49 32 18
| 2197 43 31 30 18
| [CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 oooodoo
[CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 oooodoo
2 variants possible; use an icon → ?oo??oo
3 variants possible; use an icon → ?oo??oo
[CH2](O)[C@H](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 oooodoo
|
 LDmanHep-ol | hep* | ol | 0 | 0 | h11221h2111112 | L-glycero-D-manno-heptitol |
no configuration variants are populated | ooooooo (acyclic) |
 Leg | non* | ket | 54 | 29 | A?d21122m_5*N_7*N002111113 | legionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-galacto-non-2-ulosonic) |
a-Legp b-Legp b-Leg? ?-Leg? a-Leg? ?-Legp
| 58 12 5 4 2 1
| 57 12 5 4 2 1
| [CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) aodondnod
[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) aodondnod
[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) a?don?nod
2 variants possible; use an icon → a?don?nod
[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) a?don?nod
[CH3][C@@H](O)[C@@H](N)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodondnod
|
 Leu | nsu | pep | 4 | 2 | A2ddm_2*N_4*C012133 | leucine |
L-Leu D-Leu
| 6 4
| 4 2
| [CH3][CH]([CH3])[CH2][C@H](N)[C](=O)O andddd [CH3][CH]([CH3])[CH2][C@@H](N)[C](=O)O andddd
|
 Lig | mva* | lip | 5 | 4 | *OCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222223 | lignoceric acid (tetracosanoic acid) |
Lig
| 21
| 21
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddddddddd
|
 Lin | mva* | lip | 14 | 4 | *OCCCCCCCCC=^ZCCC=^ZCCCCCC/3=O/022222221121122223 | linoleic acid (cis,cis-9,12-octadecadienoic acid) |
Lin
| 31
| 21
| [CH3][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdDDddddd
|
 Lincose1SMe6N | non* | ald | 0 | 0 | a211222m_1*SC_6*N111111133 | 6-amino-6,8-dideoxy-1-methylthio-D-erythro-D-galactose (methyl-thio-lincosamide) |
no configuration variants are populated | hooodnodd (pyranose), hoodonodd (furanose) |
 LIP | nsu* | lip | 1111 | 167 | A | superclass: lipid residue |
LIP
| 1227
| 663
| <ANY>
|
 LLmanHep | hep* | ald | 144 | 12 | ?22111h1111112 | L-glycero-L-manno-heptose |
a-LLmanHepp
| 57
| 12
| [CH2](O)[C@H](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodoo
|
 Lys | nsu | pep | 30 | 13 | A2dddh_2*N_6*N012222 | lysine |
L-Lys ?-Lys
| 61 17
| 55 17
| [CH2](N)[CH2][CH2][CH2][C@H](N)[C](=O)O andddn [CH2](N)[CH2][CH2][CH2][CH](N)[C](=O)O andddn
|
 Lyx | pen | ald | 5 | 4 | ?112h11112 | lyxose |
a-D-Lyxp b-D-Lyxp a-L-Lyxp
| 11 8 4
| 10 5 4
| [CH2](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ooood
[CH2](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ooood
[CH2](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 ooood
|
 Lyx-ol | pen | ol | 10 | 5 | h112h21112 | lyxitol |
D-Lyx-ol
| 8
| 8
| [CH2](O)[C@@H](O)[C@H](O)[C@H](O)[CH2](O) ooooo
|
 LyxN2CMe-onic | hex | opn | 0 | 0 | A512h_2*N_2*C001123 | 2-amino-2-deoxy-2-C-methyllyxonic acid |
no configuration variants are populated | anoood (acyclic) |
 Mal | nsu* | | 13 | 7 | *OCCCO*/5=O/3=O020 | malonic acid (HOOC-CH2-COOH) |
Mal
| 113
| 112
| [C](=O)(O)[CH2][C](=O)(O) ada
|
 Man | hex | ald | 20040 | 1808 | ?1122h111112 | mannose |
a-D-Manp b-D-Manp a-?-Manp ?-D-Manp a-?-Man? ?-D-Man? b-?-Manp a-D-Man? ?-?-Manp a-L-Manp ?-?-Man? b-?-Man? b-D-Man? a-L-Man? b-D-Manf a-D-Manf b-L-Manp ?-L-Man? ?-L-Manp a-?-Manf b-?-Manf
| 18200 3800 723 478 238 175 138 127 47 43 32 29 19 15 10 4 2 2 1 1 1
| 4515 2527 232 282 54 175 112 83 39 36 17 19 19 3 6 4 2 2 1 1 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 oooodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 oooodo
2 variants possible; use an icon → oooodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 oooodo
4 variants possible; use an icon → ?oo??o
3 variants possible; use an icon → ?oo??o
2 variants possible; use an icon → oooodo
2 variants possible; use an icon → ?oo??o
2 variants possible; use an icon → oooodo
[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodo
4 variants possible; use an icon → ?oo??o
4 variants possible; use an icon → ?oo??o
2 variants possible; use an icon → ?oo??o
2 variants possible; use an icon → ?oo??o
[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H](O)1 ooodoo
[CH2](O)[C@@H](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)1 ooodoo
[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1 oooodo
3 variants possible; use an icon → ?oo??o
[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 oooodo
2 variants possible; use an icon → ooodoo
2 variants possible; use an icon → ooodoo
|
 Man-ol | hex | ol | 81 | 47 | h1122h211112 | mannitol |
D-Man-ol ?-Man-ol L-Man-ol
| 140 29 2
| 136 27 2
| [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[CH2](O) oooooo
2 variants possible; use an icon → oooooo
[CH2](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[CH2](O) oooooo
|
 Man-onic | hex | opn | 19 | 10 | A1122h011112 | mannonic acid |
D-Man-onic
| 16
| 16
| [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C](=O)O aooooo
|
 Man1N | hex | ald | 6 | 2 | ?1122h_1*N111112 | 1-amino-1-deoxymannose |
a-D-Manp1N ?-D-Manp1N b-?-Manp1N b-D-Manp1N b-D-Man?1N
| 15 12 3 3 1
| 15 12 3 3 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](N)1 nooodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](N)1 nooodo
2 variants possible; use an icon → nooodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](N)1 nooodo
2 variants possible; use an icon → noo??o
|
 ManA | hex | ald | 46 | 14 | ?1122A111110 | mannuronic acid |
b-D-ManpA ?-D-ManpA ?-D-Man?A a-D-ManpA b-D-Man?A ?-L-ManpA
| 66 4 1 1 1 1
| 33 2 1 1 1 1
| [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 ooooda
[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[CH](O)1 ooooda
3 variants possible; use an icon → ?oo??a
[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ooooda
2 variants possible; use an icon → ?oo??a
[C](=O)(O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 ooooda
|
 ManN | hex | ald | 577 | 136 | ?1122h_2*N111112 | 2-amino-2-deoxymannose |
b-D-ManpN a-D-ManpN b-?-ManpN ?-D-ManpN ?-?-ManpN
| 264 82 28 13 1
| 209 74 7 13 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)1 onoodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@@H](O)1 onoodo
2 variants possible; use an icon → onoodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[CH](O)1 onoodo
2 variants possible; use an icon → onoodo
|
 ManN3N | hex | ald | 0 | 0 | ?1122h_2*N_3*N111112 | 2,3-diamino-2,3-dideoxymannose |
no configuration variants are populated | Annooo (acyclic), onnodo (pyranose), onndoo (furanose) |
 ManN3NA | hex | ald | 104 | 36 | ?1122A_2*N_3*N111110 | 2,3-diamino-2,3-dideoxymannuronic acid |
b-D-ManpN3NA a-D-ManpN3NA ?-D-ManpN3NA ?-?-ManpN3NA
| 216 2 1 1
| 149 2 1 1
| [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](N)[C@H](O)1 onnoda
[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](N)[C@@H](O)1 onnoda
[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](N)[C@H](N)[CH](O)1 onnoda
2 variants possible; use an icon → onnoda
|
 ManNA | hex | ald | 179 | 70 | ?1122A_2*N111110 | 2-amino-2-deoxymannuronic acid |
b-D-ManpNA ?-D-ManpNA a-D-ManpNA b-D-Man?NA ?-?-ManpNA
| 169 4 3 2 2
| 146 3 3 2 1
| [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)1 onooda
[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[CH](O)1 onooda
[C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)[C@@H](O)1 onooda
2 variants possible; use an icon → ?no??a
2 variants possible; use an icon → onooda
|
 Mar | mva* | lip | 26 | 5 | *OCCCCCCCCCCCCCCCCC/3=O02222222222222223 | margaric acid (heptadecanoic acid) |
Mar
| 37
| 23
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddd
|
 Me | mva* | alk | 1274 | 558 | *OC3 | methanol |
Me
| 6321
| 3550
| [CH3]O o
|
 Mon | mva* | lip | 13 | 5 | *OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222222222223 | montanic acid (octacosanoic acid) |
Mon
| 8
| 8
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddddddddddddd
|
 mPmN2 | nsu* | pep | 8 | 4 | A2ddd1A_2*N_6*N0122210 | meso-diaminopimelic acid (HOOC-(S)CH(NH2)-CH2-CH2-CH2-(R)CH(NH2)-COOH) |
mPmN2
| 57
| 47
| [C](=O)(O)[C@H](N)[CH2][CH2][CH2][C@H](N)[C](=O)O andddna
|
 mucoIno | nsu* | ino | 0 | 0 | 112112111111 | muco-inositol (cis-1,2,4,5-trans-3,6-cyclohexanehexol) |
no configuration variants are populated | oooooo (acyclic) |
 Mur | non* | ald | 15 | 10 | ?2122h_2*N_3*OC^RCO/4=O/3C111112103 | 2-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose (muramic acid) |
b-Murp ?-Mur? ?-Murp a-Murp b-Mur? Mura a-Mur?
| 66 29 20 14 5 4 2
| 49 25 16 14 5 4 2
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@H](O)1 onxododad
3 variants possible; use an icon → ?nx??odad
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH](O)1 onxododad
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@@H](O)1 onxododad
2 variants possible; use an icon → ?nx??odad
[CH2](O)[C@@H](O)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH]=O Anxooodad
2 variants possible; use an icon → ?nx??odad
|
 MVA | mva* | | 0 | 0 | | superclass: any monovalent residue |
no configuration variants are populated | |
 Myc | oct* | ald | 0 | 0 | ?2122m_3*NC/2C11111333 | 3-dimethylamino-3,6-dideoxy-D-glucose (mycaminose) |
no configuration variants are populated | Aonooddd (acyclic), oonodddd (pyranose), ooododdd (furanose) |
 Mycolic | nsu* | lip | 177 | 4 | *1OCC^XC^XCCCCCCCCCCCCCCC/5O*3/4CCCCCCCCCCCCCC/3=O01122222222222222322222222222223 | corynomycolic acid (C32) |
Mycolic
| 62
| 18
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH]([CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3])[C](=O)O adoddddddddddddddddddddddddddddd
|
 myoIno | nsu* | ino | 284 | 106 | 111212111111 | myo-inositol (cis-1,2,3,5-trans-4,6-cyclohexanehexol) [2OH ax, other OH eq] |
myoIno
| 496
| 493
| [C@H](O)1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 oooooo
|
 Myr | mva* | lip | 399 | 170 | *OCCCCCCCCCCCCCC/3=O02222222222223 | myristic acid (tetradecanoic acid) |
Myr
| 568
| 463
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddd
|
 Myricetin | nsu* | | 1 | 1 | @myricetin~0000010100010001 | 3,5,7,3',4',5'-hexahydroxyflavone (atom 1 is O) |
Myricetin
| 39
| 39
| O[C]1=C(C2=C[C](O)=[C](O)[C](O)=C2)OC3=C([C](O)=[CH][C](O)=[CH]3)C1=O .DOxODODDDDDOOOD
|
 neoIno | nsu* | ino | 0 | 0 | 111222111111 | neo-inositol (cis-1,2,3-trans-4,5,6-cyclohexanehexol) |
no configuration variants are populated | oooooo (acyclic) |
 Neu | non* | ket | 440 | 117 | A?d21122h_5*N002111112 | neuraminic acid (5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic) |
a-Neup ?-Neup a-Neu? b-Neup ?-Neu? b-Neu?
| 655 13 9 7 4 1
| 490 12 6 7 4 1
| [CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) aodondooo
[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C](O)1[C](=O)(O) aodondooo
[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@@](O)1[C](=O)(O) a?don?ooo
[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) aodondooo
2 variants possible; use an icon → a?don?ooo
[CH2](O)[C@@H](O)[C@@H](O)[C@H](O1)[C@H](N)[C@@H](O)[CH2][C@](O)1[C](=O)(O) a?don?ooo
|
 NH2 | mva* | | 119 | 61 | *N | ammonia |
NH2
| 280
| 184
| [1NH3] n
|
 Nle | nsu | pep | 0 | 0 | A2dddm_2*N012223 | norleucine |
no configuration variants are populated | andddd (acyclic) |
 Nno | mva* | lip | 1 | 1 | *OCCCCCCCCC/3=O022222223 | pelargonic acid (nonanoic acid) |
Nno
| 8
| 5
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddd
|
 Non | non | sug | 0 | 0 | | alias: nonose |
no configuration variants are populated | ????????? (acyclic), ????????? (pyranose), ????????? (furanose) |
 NON | non* | sug | 0 | 0 | QQQQQQQQQ | superclass: nonose |
no configuration variants are populated | |
 nucA | nsu* | | 48 | 10 | a222h-1b_1-4_1*(NC^ZCC^ENC^ZN$3/4N^ZC$2)/5N_5*OPO/3O/3=O1111210001 | adenosine (A, bDRibf + 6-aminopurine) |
nucA
| 24
| 24
| [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[CH]=N[C]3=[C]2N=[CH]N=[C](N)3)1 xoodoDDDND
|
 nucC | nsu* | | 13 | 5 | a222h-1b_1-4_1*NCN=^ECC=^ZC$2/5N/3=O_5*OPO/3O/3=O111120011 | cytidine (C, bDRibf + 4-amino-1H-pyrimidine-2-one) |
nucC
| 29
| 29
| [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[C](=O)N=[C](N)[CH]=[CH]2)1 xoodoxNDD
|
 nucdA | nsu* | | 11 | 3 | ad22h-1b_1-4_1*(NC^ZCC^ENC^ZN$3/4N^ZC$2)/5N_5*OPO/3O/3=O1211210001 | deoxyadenosine (dA, bD2dRibf + 6-aminopurine) |
nucdA
| 3
| 3
| [CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[CH]=N[C]3=[C]2N=[CH]N=[C](N)3)1 xdodoDDDND
|
 nucdG | nsu* | | 9 | 3 | ad22h-1b_1-4_1*(NC^ZCN^ZC$2)/4CNC=^ZN$3/10N/8=O_5*OPO/3O/3=O1211200001 | deoxyguanosine (dG, bD2dRibf + 2-amino-6-hydroxypurine) |
nucdG
| 3
| 3
| [CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[CH]=N[C]3=[C]2N=[C](N)N[C](=O)3)1 xdodoNDDND
|
 nucdT | nsu* | | 13 | 7 | ad22h-1b_1-4_1*NCNCC=^ZC$2/6C/5=O/3=O_5*OPO/3O/3=O1211200013 | deoxythymidine (dT, bD2dRibf + 5-methyluracil) |
nucdT
| 24
| 24
| [CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[C](=O)[53NH][C](=O)[C]([CH3])=[CH]2)1 xdodoNNDDd
|
 nucdU | nsu* | | 7 | 2 | ad22h-1b_1-4_1*NCNCC=^ZC$2/5=O/3=O_5*OPO/3O/3=O121120011 | deoxyuridine (dU, bD2dRibf + 2-oxy-4-oxy-pyrimidine) |
nucdU
| 2
| 2
| [CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[C](=O)N[C](=O)[CH]=[CH]2)1 xdodoxNDD
|
 nucG | nsu* | | 34 | 7 | a222h-1b_1-4_1*(NC^ZCN^ZC$2)/4CNC=^ZN$3/10N/8=O_5*OPO/3O/3=O1111200001 | guanosine (G, bDRibf + 2-amino-6-hydroxypurine) |
nucG
| 37
| 37
| [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[CH]=N[C]3=[C]2N=[C](N)N[C](=O)3)1 xoodoNDDND
|
 nucT | nsu* | | 11 | 4 | a222h-1b_1-4_1*NCNCC=^ZC$2/6C/5=O/3=O_5*OPO/3O/3=O1111200013 | thymidine (T, bDRibf + 5-methyluracil) |
nucT
| 13
| 13
| [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[C](=O)[53NH][C](=O)[C]([CH3])=[CH]2)1 xoodoNNDDd
|
 nucU | nsu* | | 27 | 10 | a222h-1b_1-4_1*NCNCC=^ZC$2/5=O/3=O_5*OPO/3O/3=O111120011 | uridine (U, bDRibf + 2-oxy-4-oxy-pyrimidine) |
nucU
| 76
| 76
| [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[C](=O)N[C](=O)[CH]=[CH]2)1 xoodoxNDD
|
 Nva | nsu | pep | 0 | 0 | A2ddm_2*N01223 | norvaline |
no configuration variants are populated | anddd (acyclic) |
 Oc | mva* | alk | 20 | 8 | *OCCCCCCCC22222223 | octanol |
Oc
| 17
| 17
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O oddddddd
|
 Oco | mva* | lip | 51 | 16 | *OCCCCCCCC/3=O02222223 | octanoic acid |
Oco
| 64
| 47
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddd
|
 OCT | oct* | sug | 0 | 0 | QQQQQQQQ | superclass: octose |
no configuration variants are populated | |
|