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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 | 10 | 10 | dd122m221113 | 1,2,6-trideoxy-arabino-hexose (olivose in C-glycoside) |
b-D-1,2,6daraHexp
| 28
| 28
| [CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][CH2]1 ddoodd
|
 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
|
 1,6anhMur | 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
|
 10b1C19 | mva | lip | 3 | 3 | *OCCCCCCCCCC^XCCCCCCCC/12C/3=O0222222221222222233 | tuberculostearic acid (10-methyl-octadecanoic acid) |
?-10b1C19 R-10b1C19 S-10b1C19
| 12 1 1
| 11 1 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 [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 | 15 | 5 | *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 | 9 | 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
|
 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 | 333 | 87 | *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 | 31 | 12 | *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 | 10 | 5 | *1OCCCCCCCCC=^ZCCCCCCCCC/20O*18/3=O022222221122222222 | 18-hydroxy-cis-9-octadecenoic acid |
18HOOle
| 29
| 20
| [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 | 4 | 2 | *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
|
 1dAll | hex | ald | 26 | 11 | d2222h211112 | 1-deoxy-allose |
b-D-1dAllp
| 24
| 24
| [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 dooodo
|
 1dEry-ol | tet | ol | 32 | 12 | 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 4
| 5 4
| [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 | 9 | 9 | 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? ?-D-1dGlcp a-D-1dGlcp ?-?-1dGlc?
| 184 4 3 2 2
| 171 4 3 2 2
| [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)[CH2]1 dooodo
[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
|
 1dThre-ol | tet | ol | 1 | 1 | m12h3112 | 1-deoxythreitol |
?-1dThre-ol
| 2
| 2
| 2 variants possible; use an icon → dooo
|
 2,15,16HOPam | nsu | lip | 37 | 11 | *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
|
 2,3HOBz | nsu* | | 2 | 2 | *7OC(CC^ZCC^ZCC^Z$4)/6O*3/5O*2/3=O0001110 | 2,3-dihydroxybenzoic acid |
2,3HOBz
| 21
| 16
| [CH]1=[CH][CH]=[C](O)[C](O)=[C]1[C](=O)O DOODDDa
|
 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) aodoxddd
|
 2,4HOBut | nsu | lip | 13 | 5 | *1OCC^XCCO*4/4O*2/3=O0122 | 2,4-dihydroxybutanoic acid (3d-glycero-tetronic acid) |
S-2,4HOBut R-2,4HOBut
| 160 17
| 70 7
| [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
| 17 11 4 1
| 17 11 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 | 4 | 3 | 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 | 14 | 10 | ?d122m121113 | 2,6-dideoxy-arabino-hexose (olivose, 2d-Qui = 2d-Rha), 3OMe-derivative = oleandrose |
b-D-2,6daraHexp b-?-2,6daraHexp a-L-2,6daraHexp a-D-2,6daraHexp ?-D-2,6daraHex? a-?-2,6daraHexp ?-D-2,6daraHexp
| 313 39 21 12 2 1 1
| 210 22 20 12 2 1 1
| [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](O1)[C@@H](O)[C@H](O)[CH2][C@@H](O)1 odoodd
3 variants possible; use an icon → ?do??d
2 variants possible; use an icon → odoodd
[CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][CH](O)1 odoodd
|
 27HOMon | nsu | lip | 24 | 9 | *1OCCCCCCCCCCCCCCCCCCCCCCCCCCC^XC/29O*27/3=O0222222222222222222222222213 | 27-hydroxy-octacosanoic acid |
?-27HOMon
| 84
| 77
| [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
|
 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 | 11 | 2 | ?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
|
 2dthrPen4N | pen | ald | 5 | 5 | ?d12h_4*N12112 | 4-amino-2,4-dideoxy-threo-pentose |
a-L-2dthrPenp4N
| 5
| 5
| N[C@H]1[CH2]O[C@@H](O)[CH2][C@@H]1O odond
|
 2HOAch | nsu | lip | 3 | 3 | *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
|
 2HOBeh | nsu | lip | 10 | 5 | *1OCC^XCCCCCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222222223 | 2-hydroxy-docosanoic acid |
?-2HOBeh R-2HOBeh
| 28 5
| 28 5
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[C](=O)O aodddddddddddddddddddd [CH3][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 aodddddddddddddddddddd
|
 2HOC13 | nsu | lip | 3 | 1 | *1OCC^XCCCCCCCCCCC/4O*3/3=O0122222222223 | 2-hydroxy-tridecanoic acid |
R-2HOC13
| 4
| 4
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aoddddddddddd
|
 2HOC15 | nsu | lip | 5 | 3 | *1OCC^XCCCCCCCCCCCCC/4O*3/3=O012222222222223 | 2-hydroxy-pentadecanoic acid |
R-2HOC15
| 6
| 6
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C](=O)O aoddddddddddddd
|
 2HOC16={t3} | nsu | lip | 35 | 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 | 62 | 18 | *1OCC^XC=^ECCCCCCCCCCCCCCC/4O*2/3=O011122222222222223 | 2-hydroxy-trans-3-octadecenoic acid |
R-2HOC18={t3} ?-2HOC18={t3}
| 37 17
| 37 17
| [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
|
 2HOCrt | nsu | lip | 13 | 10 | *1OCC^XCCCCCCCCCCCCCCCCCCCCCCCC/4O*3/3=O01222222222222222222222223 | 2-hydroxy-hexacosanoic acid |
?-2HOCrt
| 20
| 19
| [CH3][CH2][CH2][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 aodddddddddddddddddddddddd
|
 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 | 56 | 31 | *1OCC^XCCCCCCCCCC/4O*2/3=O012222222223 | 2-hydroxy-dodecanoic acid |
?-2HOLau S-2HOLau R-2HOLau
| 60 17 2
| 53 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 | 83 | 35 | *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 | 56 | 17 | *1OCC^XCCCCCCCCCCCC/4O*2/3=O01222222222223 | 2-hydroxy-tetradecanoic acid |
?-2HOMyr S-2HOMyr R-2HOMyr
| 36 12 4
| 36 12 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 | 143 | 40 | *1OCC^XCCCCCCCCCCCCCC/4O*2/3=O0122222222222223 | 2-hydroxy-hexadecanoic acid |
?-2HOPam R-2HOPam S-2HOPam
| 49 43 2
| 49 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 | 111 | 41 | *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 | | 8 | 4 | *1OCC^XCCO*4/6=O/4O*2/3=O0120 | malic acid (2-hydroxysuccinic acid) |
?-2HOSuc S-2HOSuc R-2HOSuc
| 14 7 6
| 14 7 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
| 8
| 8
| [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
| 196
| 196
| [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) anooxdd
|
 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 | 73 | 9 | ?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
|
 3dlyxHep-ulosaric | hep | ket | 5 | 4 | A?d112A0021110 | 3-deoxy-lyxo-hept-2-ulosaric acid (Dha_A when D) |
a-D-3dlyxHepp-ulosaric ?-?-3dlyxHepp-ulosaric a-?-3dlyxHepp-ulosaric ?-D-3dlyxHepp-ulosaric b-D-3dlyxHepp-ulosaric ?-?-3dlyxHep?-ulosaric
| 15 8 7 6 3 1
| 9 6 7 6 3 1
| [C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O) aodooda
2 variants possible; use an icon → aodooda
2 variants possible; use an icon → aodooda
[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C](O)1[C](=O)(O) aodooda
[C](=O)(O)[C@@H](O1)[C@H](O)[C@H](O)[CH2][C@](O)1[C](=O)(O) aodooda
6 variants possible; use an icon → a?do??a
|
 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 | | 4 | 4 | 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
| 15
| 15
| [C](=O)1[CH2][C]([CH3])(O)[C]([CH3])(N1)[C](=O)(O) anodxdd
|
 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 | 20 | 6 | *1OCCC^XCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222223 | 3-hydroxy-icosanoic acid |
?-3HOAch R-3HOAch
| 41 6
| 22 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 | 2 | 1 | *1OCCC^XCCCCCCCCCCCCCCCCCCC/5O*3/3=O0212222222222222222223 | 3-hydroxy-docosanoic acid |
?-3HOBeh
| 4
| 2
| [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 | 309 | 152 | *1OCCC^XC/5O*3/3=O0213 | 3-hydroxybutanoic acid |
?-3HOBut R-3HOBut S-3HOBut
| 199 176 146
| 151 172 134
| [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 | 5 | 4 | *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 | 2 | 2 | *1OCCC^XCCCCCCCCCCCC/5O*3/3=O021222222222223 | 3-hydroxy-pentadecanoic acid |
R-3HOC15 ?-3HOC15
| 7 3
| 7 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 | 207 | 77 | *1OCCC^XCCCCCCC/5O*3/3=O0212222223 | 3-hydroxy-decanoic acid |
?-3HODco R-3HODco
| 222 107
| 129 48
| [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 | 18 | 8 | *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 | 11 | 8 | *1OCCC^XCCCCCCCCCCC/15C/5O*3/3=O021222222222133 | 3-hydroxy-iso-pentadecanoic acid |
R-3HOiC15 ?-3HOiC15
| 12 11
| 11 10
| [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 | 47 | 19 | *1OCCC^XCCCCCCCCCCCCCC/17C/5O*3/3=O02122222222222133 | 3-hydroxy-iso-heptadecanoic acid |
?-3HOiMar R-3HOiMar
| 40 34
| 22 19
| [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 | 2 | 1 | *1OCCC^XCCCCCCCCCC/14C/5O*3/3=O02122222222133 | 3-hydroxy-iso-tetradecanoic acid |
?-3HOiMyr R-3HOiMyr
| 8 2
| 4 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
| 23
| 23
| [CH3][C]([CH3])(O)[CH2][C](=O)O adodd
|
 3HOLau | nsu | lip | 333 | 104 | *1OCCC^XCCCCCCCCC/5O*3/3=O021222222223 | 3-hydroxy-dodecanoic acid |
?-3HOLau R-3HOLau
| 320 230
| 148 94
| [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 | 15 | 5 | *1OCCC^XCCCCCCCCCCCCCC/5O*3/3=O02122222222222223 | 3-hydroxy-heptadecanoic acid |
?-3HOMar
| 10
| 8
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddddddd
|
 3HOMyr | nsu | lip | 1187 | 220 | *1OCCC^XCCCCCCCCCCC/5O*3/3=O02122222222223 | 3-hydroxy-tetradecanoic acid |
?-3HOMyr R-3HOMyr
| 1475 789
| 503 269
| [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 | 16 | 8 | *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 | 296 | 64 | *1OCCC^XCCCCCCCCCCCCC/5O*3/3=O0212222222222223 | 3-hydroxy-hexadecanoic acid |
?-3HOPam R-3HOPam
| 197 104
| 125 64
| [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
| 12
| 10
| [CH2](O)[CH2][C](=O)O ado
|
 3HOSte | nsu | lip | 103 | 23 | *1OCCC^XCCCCCCCCCCCCCCC/5O*3/3=O021222222222222223 | 3-hydroxy-stearic acid |
?-3HOSte R-3HOSte
| 179 52
| 92 23
| [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 | 12 | 8 | *OCCCCCCCCCCCCCC/5=O/3=O02022222222223 | 3-oxo-tetradecanoic acid |
3oxoMyr
| 29
| 22
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)[CH2][C](=O)O addddddddddddd
|
 4,7anhKdo | oct* | ket | 15 | 5 | A?d1122h_4-700211112 | 4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid |
?-4,7anhKdo? 4,7anhKdoa a-4,7anhKdo?
| 4 4 1
| 4 4 1
| 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
2 variants possible; use an icon → a?dx??xo
|
 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 | 8 | ?12d2h111212 | 4-deoxy-arabino-hexose |
b-D-4daraHexp a-D-4daraHexp
| 15 2
| 10 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
|
 4dEry-ol | tet | ol | 1 | 1 | h22m2113 | 4-deoxyerythritol (alias for 1-deoxyerythritol ?) |
L-4dEry-ol D-4dEry-ol
| 5 1
| 5 1
| [CH3][C@H](O)[C@H](O)[CH2](O) dooo
[CH3][C@@H](O)[C@@H](O)[CH2](O) dooo
|
 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 | 13 | 11 | ?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
| 7 1
| 7 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
|
 4HOBut | nsu* | lip | 4 | 4 | *1OCCCCO*4/3=O0222 | 4-hydroxybutanoic acid |
4HOBut
| 39
| 39
| [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
| 46
| 40
| [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
| 10
| 10
| [CH]1=[CH][C](N)=[CH][CH]=[C]1[C](=O)O DDDNDDa
|
 6dAlt | hex | ald | 56 | 23 | ?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
|
 6dAltN4N | hex | ald | 1 | 1 | ?1222m_2*N_4*N111113 | 2,4-diamino-2,4,6-trideoxyaltrose |
b-L-6dAltpN4N a-D-6dAltpN4N b-L-6dAlt?N4N ?-L-6dAltpN4N
| 6 4 1 1
| 6 4 1 1
| [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 ?non?d
[CH3][C@H](O1)[C@H](N)[C@H](O)[C@@H](N)[CH](O)1 onondd
|
 6daltHep | hep | ald | 17 | 12 | ?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
|
 6daraHexN-4-ulo | hex | ald | 1 | 1 | ?12U2m_2*N111013 | 2-amino-2,6-dideoxy-arabino-hexos-4-ulose |
b-L-6daraHexpN-4-ulo
| 2
| 2
| [CH3][C@H](O1)[C](=O)[C@H](O)[C@@H](N)[C@@H](O)1 onoxdd
|
 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
|
 6dGul | hex | ald | 1 | 1 | ?2212m111113 | 6-deoxygulose |
b-D-6dGulp ?-?-6dGulp b-D-6dGul? ?-D-6dGulp a-D-6dGulp
| 10 3 3 2 1
| 9 2 3 2 1
| [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
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
[CH3][C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1 oooodd
|
 6dgulHep | hep | ald | 5 | 3 | ?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
|
 6didoHep | hep | ald | 7 | 4 | ?1212dh1111122 | 6-deoxy-ido-heptose |
b-D-6didoHepp a-D-6didoHepp
| 6 1
| 5 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 | 88 | 19 | ?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
|
 6dribHex-3-ulo | hex | ald | 2 | 2 | ?2U22m110113 | 6-deoxy-ribo-hexos-3-ulose |
a-D-6dribHexp-3-ulo b-L-6dribHexp-3-ulo
| 6 5
| 6 5
| [CH3][C@@H](O1)[C@@H](O)[C](=O)[C@@H](O)[C@@H](O)1 ooxodd
[CH3][C@H](O1)[C@H](O)[C](=O)[C@H](O)[C@@H](O)1 ooxodd
|
 6dTal | hex | ald | 280 | 97 | ?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?
| 368 54 14 13 10 7 6 5 3 2 1
| 290 40 12 13 7 7 5 5 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
|
 6dTalN | hex | ald | 15 | 5 | ?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 | 1 | 1 | ?21U2m111013 | 6-deoxy-xylo-hexos-4-ulose |
a-D-6dxylHexp-4-ulo ?-D-6dxylHexp-4-ulo
| 2 1
| 2 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
|
 6dxylHexN-4-ulo | hex | ald | 45 | 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 | 5 | 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) |
?-8eAcip a-8eAcip b-8eAcip
| 5 2 1
| 5 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) aodondnod
|
 8eLeg | non* | ket | 35 | 14 | 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?
| 54 6 5 4 1
| 53 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 | 3 | 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 | 86 | 18 | *1OCCCC=^ECCCC=^ECCCCCCCCCC/11C/5O*3/4N*22111122102222222233 | (4E,8E)-9-methyl-4,8-sphingadienine-C18 |
9b1SphdC19
| 30
| 29
| [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 | 102 | 31 | ?2d12m112113 | 3,6-dideoxy-D-xylo-hexose (abequose), 3dFuc=3,6dGul |
a-Abep a-Abe? ?-Abep ?-Abe?
| 173 3 3 1
| 152 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* | | 20617 | 3695 | *OCC/3=O03 | acetic acid |
Ac
| 28523
| 13508
| [CH3][C](=O)O ad
|
 Ach | mva* | lip | 2 | 2 | *OCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222223 | arachidic acid (icosanoic acid) |
Ach
| 17
| 16
| [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 | 4 | 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
| 6 4
| 6 4
| [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
|
 Aep | nsu* | | 26 | 9 | *1OPCCN*3/3O/3=O022 | 2-amino-ethylphosphonic acid |
Aep
| 38
| 32
| [CH2](N)[CH2][1P](=O)(O)O adn
|
 aiVl | mva | lip | 12 | 4 | *OCC^XCC/3=O/4C01233 | anteisovaleric acid (2-methyl-butyric acid) |
S-aiVl ?-aiVl
| 48 30
| 38 30
| [CH3][CH2][C@H]([CH3])[C](=O)O adddd [CH3][CH2][CH]([CH3])[C](=O)O adddd
|
 Ala | nsu | pep | 447 | 130 | A2m_2*N013 | alanine |
L-Ala D-Ala ?-Ala
| 445 443 222
| 397 261 136
| [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 | 30 | 17 | @ALKYL | superclass: alcohol residue (alkyl) |
ALK
| 83
| 75
| <ANY>
|
 All1N5NA | hex | ald | 43 | 13 | ?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
|
 AllN | hex | ald | 4 | 3 | ?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
|
 Allyl | mva* | | 19 | 8 | *OCC=C212 | allyl alcohol |
Allyl
| 88
| 88
| [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 | 84 | 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
|
 AltA | hex | ald | 47 | 21 | ?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
|
 AltNA | hex | ald | 11 | 5 | ?1222A_2*N111110 | 2-amino-2-deoxyaltruronic acid |
a-L-AltpNA b-L-AltpNA ?-L-AltpNA
| 24 1 1
| 17 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
[C](=O)(O)[C@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](O)1 onooda
|
 Am | mva* | | 128 | 68 | *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
|
 Api | pen | ald | 1 | 1 | ?26h_3*CO11022 | apiose (3-C-(hydroxymethyl)-erythro-tetrose) |
b-D-Apif ?-?-Apif a-L-Apif ?-?-Api? a-D-Apif a-L-Api? b-D-Api?
| 267 14 6 2 2 2 1
| 257 11 6 2 2 2 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
[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 |
Apigenin
| 130
| 130
| O=C(C1=[C](O)[CH]=[C](O)[CH]=C1O2)[CH]=C2C3=CC=[C](O)C=C3 xDDxODODDDDDDODD
|
 Ara | pen | ald | 2978 | 147 | ?122h11112 | arabinose |
a-L-Arap a-L-Araf a-D-Araf b-D-Araf ?-D-Araf b-L-Araf ?-L-Araf ?-?-Araf b-L-Arap ?-?-Arap b-D-Arap ?-?-Ara? a-?-Araf ?-L-Arap a-D-Arap a-L-Ara? ?-L-Ara? a-?-Arap b-?-Arap b-?-Araf ?-D-Ara? ?-D-Arap b-L-Ara? a-D-Ara? a-?-Ara?
| 1171 735 732 200 112 99 97 68 43 43 42 41 29 28 25 25 24 18 10 5 4 4 2 1 1
| 1081 465 152 94 61 80 55 33 40 18 36 25 14 18 20 22 23 18 10 4 4 4 1 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)[C@@H](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](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 → ooodo
[CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 ooood
[CH2](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1 ooood
2 variants possible; use an icon → ?oo??
3 variants possible; use an icon → ?oo??
2 variants possible; use an icon → ooood
2 variants possible; use an icon → ooood
2 variants possible; use an icon → ooodo
3 variants possible; use an icon → ?oo??
[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??
|
 Ara-ol | pen | ol | 70 | 37 | h122h21112 | arabinitol |
D-Ara-ol ?-Ara-ol L-Ara-ol
| 78 20 8
| 74 20 8
| [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 | 231 | 75 | ?122h_4*N11112 | 4-amino-4-deoxyarabinose |
b-L-Arap4N ?-L-Arap4N a-L-Arap4N ?-?-Arap4N b-L-Ara?4N b-D-Ara?4N ?-L-Ara?4N ?-?-Ara?4N a-L-Ara?4N
| 434 41 17 16 4 3 1 1 1
| 339 29 14 12 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
[CH2](O1)[C@H](N)[C@H](O)[C@@H](O)[C@H](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 ?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 | 9 | 6 | ?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 | 77 | 52 | A2dA_2*N_4*N0120 | asparagine |
?-Asn L-Asn
| 206 97
| 205 90
| [C](=O)(N)[CH2][CH](N)[C](=O)O andN [C](=O)(N)[CH2][C@H](N)[C](=O)O andN
|
 Asp | nsu | pep | 6 | 6 | A2dA_2*N0120 | aspartic acid |
D-Asp ?-Asp L-Asp
| 16 10 4
| 16 10 4
| [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 | 11 | 6 | A22m_2*N0113 | allothreonine (2S,3S) |
D-aThr ?-aThr L-aThr
| 64 2 2
| 63 2 2
| [CH3][C@@H](O)[C@@H](N)[C](=O)O anod 2 variants possible; use an icon → anod [CH3][C@H](O)[C@H](N)[C](=O)O anod
|
 Beh | mva* | lip | 3 | 2 | *OCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222223 | behenic acid (docosanoic) |
Beh
| 16
| 15
| [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* | | 29 | 8 | *OC(CC^ZCC^ZCC^Z$4)0111112 | benzoic alcohol |
Bn
| 46
| 46
| [CH]1=[CH][CH]=[CH][CH]=[C]1[CH2]O DDDDDDo
|
 Bu | mva* | alk | 13 | 10 | *OCCCC2223 | butanol |
Bu
| 24
| 24
| [CH3][CH2][CH2][CH2]O oddd
|
 But | mva* | lip | 56 | 21 | *OCCCC/3=O0223 | butyric acid |
But
| 38
| 38
| [CH3][CH2][CH2][C](=O)O addd
|
 Bz | mva* | | 5 | 1 | *OC(CC^ZCC^ZCC^Z$4)/3=O0111110 | benzoic acid |
Bz
| 190
| 162
| [CH]1=[CH][CH]=[CH][CH]=[C]1[C](=O)O DDDDDDa
|
 C12={5} | mva* | lip | 2 | 2 | *OCCCCC=^XCCCCCCC/3=O022211222223 | dodec-5-enoic acid |
C12={5}
| 9
| 9
| [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 | 3 | 3 | *OCCCCCCCCCCCCC/3=O0222222222223 | tridecanoic acid |
C13
| 4
| 4
| [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 | 3 | 2 | *OCCCCCC=^XCCCCCCCC/3=O02222112222223 | tetradec-6-enoic acid |
C14={6}
| 2
| 2
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDddddddd
|
 C14={7} | mva* | lip | 6 | 4 | *OCCCCCCC=^XCCCCCCC/3=O02222211222223 | tetradec-7-enoic acid |
C14={7}
| 8
| 8
| [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 | 9 | 5 | *OCCCCCCCCCCCCCCC/3=O022222222222223 | pentadecanoic acid |
C15
| 31
| 24
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddd
|
 C16={11} | mva* | lip | 4 | 2 | *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 | 6 | 4 | *OCCCCCC=^XCCCCCCCCCC/3=O0222211222222223 | hexadec-6-enoic acid |
C16={6}
| 4
| 4
| [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 | 29 | 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}
| 20
| 18
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddddd
|
 C | nsu* | | 2 | 1 | *OCO*/3=O | carbonic acid |
C
| 41
| 7
| [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
| 277
| 273
| [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
|
 cdPam | mva* | lip | 3 | 3 | *OCCCCCCCCC=^ZCCCCCCC/3=O0222222211222223 | cis-palmitoleic (hexadecenoic) acid |
cdPam
| 16
| 15
| [CH3][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddd
|
 CER | nsu* | lip | 169 | 47 | @CERAMIDE | superclass: ceramide (N-acylated sphyngoid) |
CER
| 194
| 194
| <ANY>
|
 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* | | 127 | 44 | *OCCNC/5C/5C22? | choline (2-(trimethylammonio)ethanol) |
Cho
| 355
| 279
| 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
| 95
| 92
| [CH]1=[CH][CH]=[CH][CH]=[C]1/[CH]=[CH]/[C](=O)O DDDDDDDDa
|
 Cm | mva* | | 31 | 13 | *NCO/3=O | carbamic acid (H2N-COOH) (WURCS is given for N-linked Cm) |
Cm
| 205
| 177
| [C](=O)(O)N ?
|
 Col | hex* | ald | 74 | 27 | ?1d21m112113 | 3,6-dideoxy-L-xylo-hexose (colitose), 3dFuc=3,6dGul |
a-Colp a-Col? b-Colp ?-Colp
| 135 10 2 1
| 89 10 2 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)[C@@H](O)1 oododd
[CH3][C@H](O1)[C@@H](O)[CH2][C@H](O)[CH](O)1 oododd
|
 Crt | mva* | lip | 27 | 11 | *OCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222223 | cerotic acid (hexacosanoic acid) |
Crt
| 77
| 74
| [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
|
 cVac | mva* | lip | 1 | 1 | *OCCCCCCCCCCC=^ZCCCCCCC/3=O022222222211222223 | cis-vaccenic (cis-11-octadecenoic) acid |
cVac
| 23
| 23
| [CH3][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddDDdddddd
|
 Cyanidin | nsu* | | 1 | 1 | @cyanidin~0001010100010011 | 3,3',4',5,7-pentahydroxyflavylium |
Cyanidin
| 108
| 108
| O[C]1=C(C2=CC=[C](O)[C](O)=C2)[O+]=C3[CH]=[C](O)[CH]=[C](O)C3=C1 xDODODODDDDDOODD
|
 Cys | nsu | pep | 19 | 5 | A2h_2*N_3*S012 | cysteine |
L-Cys ?-Cys
| 12 2
| 12 2
| [CH2](S)[C@H](N)[C](=O)O anh [CH2](S)[CH](N)[C](=O)O anh
|
 Dco | mva* | lip | 41 | 21 | *OCCCCCCCCCC/3=O0222222223 | capric acid (decanoic acid) |
Dco
| 88
| 67
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddd
|
 DD3,9dthraltNon-onic | non* | opn | 1 | 1 | A1d22212m012111113 | 3,9-dideoxy-D-threo-D-altro-nononic acid |
DD3,9dthraltNon-onic
| 3
| 3
| [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 | 24 | 3 | ?21122h1111112 | D-glycero-D-galacto-heptose |
b-DDgalHepp a-DDgalHepp
| 29 4
| 11 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
|
 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 | 323 | 91 | ?11222h1111112 | D-glycero-D-manno-heptose |
a-DDmanHepp ?-DDmanHepp b-DDmanHepp ?-DDmanHep?
| 1054 35 24 3
| 678 15 24 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)[CH](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
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 | mva* | alk | 7 | 4 | *OCCCCCCCCCC2222222223 | decanol |
Dec
| 14
| 14
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O oddddddddd
|
 Dig | hex | ald | 17 | 11 | ?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 76 42 31 13 5 2
| 298 36 30 16 12 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 | 5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-gluco-nonulosonic acid |
b-DL3,9dglcNonp5N7N-ulosonic a-DL3,9dglcNonp5N7N-ulosonic
| 6 1
| 6 1
| [CH3][C@H]([C@@H]([C@@H]1O[C@@]([C](O)=O)([CH2][C@H]([C@@H]1N)O)O)N)O aodondnod
[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 | 29 | 11 | ?12112h1111112 | D-glycero-L-gluco-heptose |
a-DLglcHepp b-DLglcHepp ?-DLglcHepp ?-DLglcHep?
| 9 6 1 1
| 9 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
|
 dPam | mva* | lip | 11 | 7 | *OCCCCCCCCC=^XCCCCCCC/3=O0222222211222123 | palmitoleic acid (hexadecenoic acid) |
dPam
| 24
| 24
| [CH3][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddd
|
 Erwiniose | dec* | ald | 6 | 4 | ?2d21d2m_4*1C^RC/2O*21120121313 | 3,6,8-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-gulo-octose |
b-Erwiniose?
| 8
| 8
| [CH3][C@@H](O)[CH2][C@H](O)[C@@]([C@H](O1)[CH3])(O)[CH2][C@@H](O)[C@H](O)1 ?odo?dodod
|
 Ery-ol | tet | ol | 443 | 70 | h22h2112 | erythritol |
D-Ery-ol ?-Ery-ol L-Ery-ol
| 126 36 28
| 126 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 | 7 | 5 | 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
|
 Et | mva* | alk | 29 | 15 | *OCC23 | ethanol |
Et
| 52
| 52
| [CH3][CH2]O od
|
 EtN | nsu* | | 884 | 327 | *1OCCN*222 | 2-aminoethanol (ethanolamine) |
EtN
| 2048
| 1545
| [CH2](N)[CH2](O) on
|
 Etg | di* | ol | 12 | 6 | hh22 | ethylene glycol |
Etg
| 38
| 31
| [CH2](O)[CH2](O) oo
|
 Fo | mva* | | 279 | 46 | *OC=O | formic acid |
Fo
| 304
| 187
| [CH](=O)O a
|
 Fru | hex | ket | 732 | 89 | h?122h201112 | fructose (arabino-hex-2-ulose) |
b-D-Fruf a-D-Fruf a-D-Frup b-D-Frup ?-D-Fru? ?-D-Fruf ?-?-Fru? b-?-Fruf ?-D-Frup
| 592 25 18 11 9 7 3 1 1
| 404 24 18 11 9 7 3 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
[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
6 variants possible; use an icon → o?oo??
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 | 1047 | 431 | ?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 a-L-Fuc? ?-L-Fuc? ?-?-Fuc? ?-?-Fucp b-D-Fucf ?-D-Fucp ?-D-Fuc? b-L-Fuc? b-?-Fucp a-D-Fuc? b-?-Fucf
| 2008 429 159 73 68 60 44 32 31 25 21 19 7 5 4 2 2 1 1
| 1526 420 133 58 57 49 40 26 25 25 19 19 7 5 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
2 variants possible; use an icon → ?oo??d
3 variants possible; use an icon → ?oo??d
4 variants possible; use an icon → ?oo??d
2 variants possible; use an icon → 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)[CH](O)1 oooodd
2 variants possible; use an icon → ?oo??d
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 | 160 | 63 | ?2112m_3*N111113 | 3-amino-3,6-dideoxygalactose |
a-D-Fucp3N b-D-Fucp3N ?-D-Fucp3N ?-?-Fucp3N a-?-Fucp3N a-L-Fucp3N b-L-Fucp3N ?-D-Fuc?3N
| 132 71 5 5 5 4 2 1
| 107 70 5 4 4 4 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
[CH3][C@@H](O1)[C@H](O)[C@H](N)[C@@H](O)[CH](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)[C@@H](O)1 oonodd
3 variants possible; use an icon → ?on??d
|
 Fuc4N | hex | ald | 63 | 23 | ?2112m_4*N111113 | 4-amino-4,6-dideoxygalactose (thomosamine if D) |
a-D-Fucp4N a-L-Fucp4N b-D-Fucp4N a-D-Fuc?4N b-?-Fucp4N ?-D-Fucp4N
| 64 5 5 3 2 1
| 61 5 5 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 ooondd
[CH3][C@@H](O1)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)1 ?oon?d
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 | 559 | 252 | ?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
| 452 144 91 13 7 5 5 4 3 2 1 1 1 1 1
| 391 140 91 11 7 5 5 4 3 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 | 129 | 70 | ?2112m_2*N_4*N111113 | 2,4-diamino-2,4,6-trideoxygalactose |
b-D-FucpN4N a-D-FucpN4N b-L-FucpN4N a-L-FucpN4N
| 110 106 6 3
| 93 100 6 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
|
 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 | 11758 | 3198 | ?2112h111112 | galactose |
b-D-Galp a-D-Galp b-D-Galf ?-D-Galp b-?-Galp a-D-Galf ?-D-Gal? b-D-Gal? ?-?-Galp b-?-Galf a-D-Gal? a-?-Galp ?-?-Gal? ?-D-Galf b-?-Gal? a-?-Gal? ?-?-Galf a-L-Galp a-?-Galf ?-L-Galp D-Gala
| 9437 5741 1898 455 291 174 131 125 124 109 94 92 67 50 46 33 29 19 10 9 1
| 6296 4142 1029 260 113 138 126 92 47 53 49 55 42 42 24 10 18 15 8 6 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](O1)[C@H](O)[C@H](O)[C@@H](O)[CH](O)1 oooodo
2 variants possible; use an icon → 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 → ?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
[CH2](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH]=O Aooooo
|
 Gal-ol | hex | ol | 10 | 5 | h2112h211112 | galactitol |
D-Gal-ol ?-Gal-ol
| 90 13
| 90 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
|
 GalA | hex | ald | 689 | 293 | ?2112A111110 | galacturonic acid |
a-D-GalpA b-D-GalpA a-?-GalpA ?-D-GalpA ?-?-GalpA a-D-Gal?A ?-?-Gal?A ?-D-Gal?A b-?-GalpA b-L-GalpA
| 1428 445 110 75 20 9 5 4 4 2
| 1066 398 28 36 16 5 4 4 3 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
4 variants possible; use an icon → ?oo??a
3 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
|
 GalN | hex | ald | 2337 | 938 | ?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-?-GalpN a-D-Gal?N b-D-Gal?N ?-?-Gal?N a-D-GalfN b-?-Gal?N L-GalaN ?-?-GalpN b-?-GalfN a-?-Gal?N
| 2089 1911 94 57 30 19 17 8 7 6 6 3 3 2 1 1 1
| 1792 1645 79 57 30 19 17 5 7 6 5 3 3 2 1 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 → onoodo
2 variants possible; use an icon → ?no??o
2 variants possible; use an icon → ?no??o
6 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
4 variants possible; use an icon → ?no??o
[CH2](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](N)[CH]=O Anoooo
2 variants possible; use an icon → onoodo
2 variants possible; use an icon → onodoo
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
| 17 1
| 17 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
|
 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 8 2 1 1
| 18 7 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 | 367 | 126 | ?2112A_2*N111110 | 2-amino-2-deoxygalacturonic acid |
a-D-GalpNA a-L-GalpNA b-D-GalpNA ?-D-GalpNA a-?-GalpNA b-L-GalpNA ?-?-GalpNA
| 419 71 11 3 2 2 2
| 291 70 11 3 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
[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
[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
|
 Gc | nsu* | lip | 13 | 7 | *1OCCO*2/3=O02 | glycolic acid (2-hydroxyacetic acid) |
Gc
| 103
| 79
| [CH2](O)[C](=O)O ao
|
 Gent | nsu* | | 2 | 2 | *7OC(CC^ECC^ECC^Z$4)/8O*5/5O*2/3=O0011010 | 2,5-dihydroxybenzoic acid (gentisic acid) |
Gent
| 8
| 8
| [CH]1=[C](O)[CH]=[CH][C](O)=[C]1[C](=O)O DODDODa
|
 Glc | hex | ald | 19876 | 4218 | ?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? a-L-Glcp b-D-Glcf b-L-Glcp a-D-Glcf ?-L-Glcp
| 23593 9117 851 235 136 112 85 82 64 58 49 24 3 3 2 2 1
| 14252 5304 616 227 67 25 56 25 39 42 48 20 3 3 2 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](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](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
|
 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 | 20 | 16 | ?2122h_1*N111112 | 1-amino-1-deoxyglucose (used for N-glycans) |
b-D-Glcp1N ?-D-Glcp1N
| 47 7
| 47 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 | 11 | 3 | ?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 | 2 | 2 | ?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 | 1830 | 749 | ?2122A111110 | glucuronic acid |
b-D-GlcpA a-D-GlcpA ?-D-GlcpA b-?-GlcpA b-D-Glc?A ?-?-GlcpA a-?-GlcpA ?-D-Glc?A ?-?-Glc?A b-?-Glc?A a-L-GlcpA D-GlcaA
| 3047 742 77 44 14 10 10 7 6 3 2 1
| 2694 693 58 33 14 6 10 7 4 3 2 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
[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
[C](=O)(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[CH]=O Aooooa
|
 GlcN | hex | ald | 10304 | 3112 | ?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 a-?-GlcpN ?-?-GlcpN ?-?-Glc?N a-?-Glc?N a-L-GlcpN b-L-GlcpN b-?-GlcfN
| 9370 4617 574 342 77 54 41 35 21 20 15 11 1 1 1
| 6707 4092 522 340 70 54 25 26 21 18 15 11 1 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
2 variants possible; use an icon → onodoo
|
 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 | 2 | A2122h_2*N011112 | 2-amino-2-deoxygluconic acid |
?-GlcN-onic D-GlcN-onic
| 23 5
| 23 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 | 84 | 60 | ?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
| 207 57 12 6 5 4 1 1
| 207 57 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 | 119 | 57 | ?2122h_2*N_3*N111112 | 2,3-diamino-2,3-dideoxyglucose |
b-D-GlcpN3N a-D-GlcpN3N ?-D-GlcpN3N ?-D-Glc?N3N
| 90 69 4 1
| 87 69 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 | 160 | 61 | ?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
| 164 9 6 2 1
| 139 9 6 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 | 51 | 27 | ?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
| 44 32 1 1 1 1 1 1
| 36 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 | 6 | 6 | A2ddA_2*N_5*N01220 | glutamine |
L-Gln ?-Gln D-Gln
| 17 16 7
| 17 15 7
| [C](=O)(N)[CH2][CH2][C@H](N)[C](=O)O anddN [C](=O)(N)[CH2][CH2][CH](N)[C](=O)O anddN [C](=O)(N)[CH2][CH2][C@@H](N)[C](=O)O anddN
|
 Glu | nsu | pep | 18 | 10 | A2ddA_2*N01220 | glutamic acid |
D-Glu ?-Glu L-Glu
| 139 49 27
| 111 38 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 | 89 | 39 | Ah_2*N02 | glycine |
Gly
| 188
| 158
| [CH2](N)[C](=O)O an
|
 Gro | tri | ol | 1164 | 370 | h2h212 | glycerol |
?-Gro D-Gro L-Gro S-Gro R-Gro
| 1178 390 172 31 13
| 954 341 134 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 | 37 | 25 | A2h012 | glyceric acid (2,3-dihydroxypropanoic acid). WURCS is for 1-O(C=O)-linked Lac |
D-GroA ?-GroA L-GroA
| 35 33 23
| 32 33 22
| [CH2](O)[C@@H](O)[C](=O)O aoo [CH2](O)[CH](O)[C](=O)O aoo [CH2](O)[C@H](O)[C](=O)O aoo
|
 GroN | tri | ol | 60 | 21 | h2h_2*N212 | 2-amino-2-deoxyglycerol (2-aminopropane-1,3-diol). Always D. |
?-GroN D-GroN L-GroN
| 50 5 1
| 45 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 | hex | ald | 1 | 1 | ?2212h111112 | gulose |
a-L-Gulp ?-D-Gulp a-D-Gulp b-L-Gulp
| 5 2 1 1
| 5 2 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)[CH](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)[C@@H](O)1 oooodo
|
 GulA | hex | ald | 21 | 9 | ?2212A111110 | guluronic acid |
a-L-GulpA ?-L-Gul?A a-L-Gul?A b-D-GulpA b-L-GulpA
| 71 6 3 2 1
| 59 6 2 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
[C](=O)(O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)1 ooooda
|
 GulN3NA | hex | ald | 18 | 8 | ?2212A_2*N_3*N111110 | 2,3-diamino-2,3-dideoxyguluronic acid |
a-L-GulpN3NA ?-L-GulpN3NA b-D-GulpN3NA
| 37 2 2
| 36 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 | 20 | 20 | ?2212A_2*N111110 | 2-amino-2-deoxyguluronic acid |
a-L-GulpNA b-L-GulpNA
| 47 1
| 43 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 | 105 | 24 | | alias: heptose |
a-?-Hepp ?-?-Hepp b-?-Hepp a-?-Hep ?-D-Hepp a-D-Hepp
| 82 40 20 4 3 2
| 42 22 11 1 1 2
| ??????? ??????? ??????? ??????? ??????? ???????
|
 HEP | hep* | sug | 8 | 1 | QQQQQQQ | superclass: heptose |
HEP
| 35
| 25
| <ANY>
|
 Hex | hex | sug | 7 | 4 | | alias: hexose |
?-?-Hexp a-D-Hexp ?-D-Hex a-?-Hexp ?-?-Hex
| 16 3 3 2 2
| 8 2 1 2 2
| ?????? ?????? ?????? ?????? ??????
|
 HEX | hex* | sug | 52 | 6 | QQQQQQ | superclass: hexose |
HEX
| 23
| 9
| <ANY>
|
 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
| 11
| 11
| [CH3][CH2][CH2][CH2][CH2][CH2]O oddddd
|
 Hxo | mva* | lip | 40 | 15 | *OCCCCCC/3=O022223 | hexanoic acid |
Hxo
| 65
| 43
| [CH3][CH2][CH2][CH2][CH2][C](=O)O addddd
|
 iBut | mva* | lip | 15 | 6 | *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 | 21 | 10 | *OCCCCCCCCCCCCCC/15C/3=O022222222222133 | iso-pentadecanoic acid |
iC15
| 23
| 23
| [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddd
|
 IdoA | hex | ald | 18 | 7 | ?1212A111110 | iduronic acid |
a-L-IdopA ?-?-Ido?A a-?-IdopA a-D-IdopA ?-?-IdopA
| 20 2 1 1 1
| 20 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
|
 iGln | nsu | pep | 1 | 1 | Add2A_4*N_5*N02210 | isoglutamine |
D-iGln ?-iGln
| 13 2
| 10 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 |
?-Ile L-Ile D-Ile
| 9 6 2
| 7 6 2
| 2 variants possible; use an icon → andddd [CH3][CH2][C@H]([CH3])[C@H](N)[C](=O)O andddd [CH3][CH2][C@@H]([CH3])[C@@H](N)[C](=O)O andddd
|
 INO | nsu* | | 74 | 43 | QQQQQQ | superclass: any inositol |
INO
| 142
| 140
| <ANY>
|
 iPam | mva* | lip | 1 | 1 | *OCCCCCCCCCCCCCCC/16C/3=O0222222222222133 | isopalmitic acid |
iPam
| 19
| 13
| [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 | 4 | 3 | *OCCCC/5C/3=O02133 | isovaleric acid |
iVl
| 19
| 19
| [CH3][CH]([CH3])[CH2][C](=O)O adddd
|
 Kaempferol | nsu* | | 9 | 6 | @kaempferol~0000010100011011 | 3,5,7,4'-tetrahydroxyflavone |
Kaempferol
| 272
| 272
| O[C]1=C(C2=CC=[C](O)C=C2)OC3=C([C](O)=[CH][C](O)=[CH]3)C1=O xDOxODODDDDDDODD
|
 Kdn | non* | ket | 31 | 19 | A?d21122h002111112 | ketodeoxynononic acid (3-deoxy-D-glycero-D-galacto-non-2-ulosonic) |
a-Kdnp b-Kdnp b-Kdn? ?-Kdnp ?-Kdn?
| 53 25 4 1 1
| 53 25 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 | 1035 | 413 | A?d1122h00211112 | ketodeoxyoctonic acid (3-deoxy-D-manno-oct-2-ulosonic acid) |
a-Kdop ?-Kdo? a-Kdo? ?-Kdop b-Kdop b-Kdo? ?-Kdof b-Kdof a-Kdof
| 3193 653 299 273 99 28 9 4 1
| 1946 639 256 207 92 15 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
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
[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 | 41 | 30 | A?11122h00111112 | ketooctonic acid (D-glycero-D-talo-oct-2-ulosonic acid) |
a-Kop ?-Kop a-Ko? ?-Ko?
| 172 6 5 2
| 172 6 5 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 | 146 | 92 | *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
| 101 96 66
| 100 95 64
| [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 | 281 | 143 | *OCCCCCCCCCCCC/3=O022222222223 | lauric acid (dodecanoic acid) |
Lau
| 589
| 473
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddd
|
 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 | 1452 | 256 | ?11221h1111112 | L-glycero-D-manno-heptose |
a-LDmanHepp ?-LDmanHepp a-LDmanHep? ?-LDmanHep? b-LDmanHepp
| 5964 74 49 32 19
| 2279 43 31 30 19
| [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
|
 Leg | non* | ket | 58 | 31 | 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? ?-Legp ?-Leg? a-Leg?
| 69 14 5 5 4 2
| 68 14 5 5 4 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
[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
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
|
 Leu | nsu | pep | 8 | 4 | A2ddm_2*N_4*C012133 | leucine |
?-Leu L-Leu D-Leu
| 13 8 4
| 13 6 2
| [CH3][CH]([CH3])[CH2][CH](N)[C](=O)O andddd [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 | 9 | 5 | *OCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222223 | lignoceric acid (tetracosanoic acid) |
Lig
| 33
| 33
| [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
| 39
| 27
| [CH3][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdDDddddd
|
 LIP | nsu* | lip | 1481 | 216 | A | superclass: lipid residue |
LIP
| 1429
| 820
| <ANY>
|
 Lys | nsu | pep | 44 | 19 | A2dddh_2*N_6*N012222 | lysine |
L-Lys ?-Lys
| 161 51
| 134 39
| [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 | 4 | 3 | ?112h11112 | lyxose |
a-D-Lyxp b-D-Lyxp a-L-Lyxp ?-L-Lyxp
| 10 8 4 1
| 9 5 4 1
| [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
[CH2](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](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
|
 Mal | nsu* | | 12 | 6 | *OCCCO*/5=O/3=O020 | malonic acid (HOOC-CH2-COOH) |
Mal
| 123
| 122
| [C](=O)(O)[CH2][C](=O)(O) ada
|
 Man | hex | ald | 22812 | 2562 | ?1122h111112 | mannose |
a-D-Manp b-D-Manp a-?-Manp ?-D-Manp a-?-Man? ?-D-Man? b-?-Manp a-D-Man? a-L-Manp ?-?-Manp ?-?-Man? b-?-Man? b-D-Man? b-D-Manf b-L-Manp a-L-Man? a-D-Manf ?-L-Man? ?-L-Manp a-?-Manf b-?-Manf
| 19004 4163 752 573 223 176 138 124 87 46 33 29 19 10 8 5 4 3 1 1 1
| 4984 2921 236 363 53 175 116 82 84 40 18 19 19 6 8 1 4 3 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
[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
4 variants possible; use an icon → ?oo??o
4 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](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1 oooodo
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
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 | 180 | 68 | h1122h211112 | mannitol |
D-Man-ol ?-Man-ol L-Man-ol
| 144 30 2
| 140 28 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 | 7 | 3 | ?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 | 36 | 13 | ?1122A111110 | mannuronic acid |
b-D-ManpA ?-D-ManpA ?-D-Man?A a-D-ManpA b-D-Man?A ?-L-ManpA
| 100 4 1 1 1 1
| 67 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 | 640 | 146 | ?1122h_2*N111112 | 2-amino-2-deoxymannose |
b-D-ManpN a-D-ManpN b-?-ManpN ?-D-ManpN ?-?-ManpN
| 286 113 28 16 1
| 232 84 7 16 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
|
 ManN3NA | hex | ald | 113 | 37 | ?1122A_2*N_3*N111110 | 2,3-diamino-2,3-dideoxymannuronic acid |
b-D-ManpN3NA a-D-ManpN3NA ?-D-ManpN3NA ?-?-ManpN3NA
| 218 2 1 1
| 151 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 | 184 | 67 | ?1122A_2*N111110 | 2-amino-2-deoxymannuronic acid |
b-D-ManpNA ?-D-ManpNA a-D-ManpNA b-D-Man?NA ?-?-ManpNA
| 170 4 3 2 2
| 149 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 | 1 | 1 | *OCCCCCCCCCCCCCCCCC/3=O02222222222222223 | margaric acid (heptadecanoic acid) |
Mar
| 27
| 19
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddd
|
 Me | mva* | alk | 1344 | 602 | *OC3 | methanol |
Me
| 6373
| 3625
| [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 | 9 | 5 | A2ddd1A_2*N_6*N0122210 | meso-diaminopimelic acid (HOOC-(S)CH(NH2)-CH2-CH2-CH2-(R)CH(NH2)-COOH) |
mPmN2
| 61
| 51
| [C](=O)(O)[C@H](N)[CH2][CH2][CH2][C@H](N)[C](=O)O andddna
|
 Mur | non* | ald | 18 | 13 | ?2122h_2*N_3*OC^RCO/4=O/3C111112103 | 2-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose (muramic acid) |
b-Murp a-Murp ?-Mur? ?-Murp b-Mur? Mura a-Mur?
| 85 78 30 24 5 4 2
| 61 78 26 20 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
[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
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
|
 Mycolic | nsu* | lip | 191 | 8 | *1OCC^XC^XCCCCCCCCCCCCCCC/5O*3/4CCCCCCCCCCCCCC/3=O01122222222222222322222222222223 | corynomycolic acid (C32) |
Mycolic
| 57
| 19
| [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 | 461 | 162 | 111212111111 | myo-inositol (cis-1,2,3,5-trans-4,6-cyclohexanehexol) [2OH ax, other OH eq] |
myoIno
| 541
| 538
| [C@H](O)1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)1 oooooo
|
 Myr | mva* | lip | 287 | 132 | *OCCCCCCCCCCCCCC/3=O02222222222223 | myristic acid (tetradecanoic acid) |
Myr
| 539
| 444
| [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 |
Myricetin
| 44
| 44
| O[C]1=C(C2=C[C](O)=[C](O)[C](O)=C2)OC3=C([C](O)=[CH][C](O)=[CH]3)C1=O xDOxODODDDDDOOOD
|
 Neu | non* | ket | 496 | 129 | A?d21122h_5*N002111112 | neuraminic acid (5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic) |
a-Neup a-Neu? ?-Neup b-Neup ?-Neu? b-Neu?
| 985 18 14 13 4 1
| 710 14 13 13 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) 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
[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* | | 148 | 61 | *N | ammonia |
NH2
| 304
| 211
| [1NH3] n
|
 nucA | nsu* | | 64 | 11 | 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
| 58
| 45
| [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* | | 19 | 7 | 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
| 64
| 54
| [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* | | 15 | 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
| 14
| 7
| [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
| 21
| 14
| [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 xdodoNDDxD
|
 nucdT | nsu* | | 14 | 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
| 84
| 59
| [CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[C](=O)[53NH][C](=O)[C]([CH3])=[CH]2)1 xdodoxxDDd
|
 nucdU | nsu* | | 13 | 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
| 3
| 3
| [CH2](O)[C@@H](O1)[C@@H](O)[CH2][C@H](N2[C](=O)N[C](=O)[CH]=[CH]2)1 xdodoxxDD
|
 nucG | nsu* | | 40 | 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
| 66
| 56
| [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 xoodoNDDxD
|
 nucT | nsu* | | 17 | 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
| 31
| 21
| [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[C](=O)[53NH][C](=O)[C]([CH3])=[CH]2)1 xoodoxxDDd
|
 nucU | nsu* | | 41 | 16 | 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
| 140
| 134
| [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](N2[C](=O)N[C](=O)[CH]=[CH]2)1 xoodoxxDD
|
 Oc | mva* | alk | 20 | 8 | *OCCCCCCCC22222223 | octanol |
Oc
| 29
| 29
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O oddddddd
|
 Oco | mva* | lip | 52 | 14 | *OCCCCCCCC/3=O02222223 | octanoic acid |
Oco
| 76
| 58
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddd
|
 Ole | mva* | lip | 45 | 16 | *OCCCCCCCCC=^ZCCCCCCCCC/3=O022222221122222223 | oleic acid (cis-9-octadecenoic acid) |
Ole
| 119
| 99
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddddd
|
 Orn | nsu | pep | 5 | 2 | A2ddh_2*N_5*N01222 | ornithine |
L-Orn D-Orn
| 3 2
| 3 1
| [CH2](N)[CH2][CH2][C@H](N)[C](=O)O anddn [CH2](N)[CH2][CH2][C@@H](N)[C](=O)O anddn
|
 Ors | nsu* | | 16 | 14 | @orsellinic~00101003 | 2,4-dihydroxy-6-methylbenzoic acid (orsellinic acid), carboxyl group is C7 |
Ors
| 49
| 38
| [C]([CH3])1=[CH][C](O)=[CH][C](O)=[C]1[C](=O)O DODODDad
|
 P | nsu* | | 5565 | 1462 | *OPO*/3O/3=O | phosphoric acid |
P
| 11406
| 6184
| [1P](O)(O)(O)=O a
|
 Pam | mva* | lip | 301 | 110 | *OCCCCCCCCCCCCCCCC/3=O0222222222222223 | palmitic acid (hexadecanoic acid) |
Pam
| 603
| 510
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddd
|
 Par | hex* | ald | 89 | 17 | ?2d22m112113 | 3,6-dideoxy-D-ribo-hexose (paratose), 3dQui=3,6dAll |
a-Parp b-Parf b-Parp a-Parf ?-Par? a-Par? ?-Parp
| 44 11 9 3 2 2 1
| 39 11 9 3 2 2 1
| [CH3][C@@H](O1)[C@@H](O)[CH2][C@@H](O)[C@@H](O)1 oododd
[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)[C@H](O)1 oododd
[CH3][C@@H](O)[C@@H](O1)[CH2][C@@H](O)[C@@H](O)1 ooddod
2 variants possible; use an icon → ?od??d
2 variants possible; use an icon → ?od??d
[CH3][C@@H](O1)[C@@H](O)[CH2][C@@H](O)[CH](O)1 oododd
|
 Pau4CHe | oct | ald | 25 | 10 | ?d112m_4*1CC/2O*212101313 | 2,6-dideoxy-4C-(1-hydroxyethyl)-lyxo-hexose (paulomycose, default: L, stereo at C7 unknown) |
a-L-Paup4CHe
| 23
| 23
| [CH3][CH](O)[C@@]1(O)[C@H]([CH2])O[C@@H](O)[CH2][C@@H]1O odooddod
|
 PEP | nsu* | pep | 1 | 1 | AC_2*N | superclass: aminoacid |
PEP
| 104
| 54
| <ANY>
|
 Phe | nsu | pep | 5 | 3 | A2_2*N_2*C(CC^ZCC^ZCC^Z$3)012011111 | phenylalanine |
D-Phe ?-Phe L-Phe
| 42 25 11
| 42 21 11
| [CH]1=[CH][CH]=[CH][CH]=[C]1[CH2][C@@H](N)[C](=O)O andDDDDDD [CH]1=[CH][CH]=[CH][CH]=[C]1[CH2][CH](N)[C](=O)O andDDDDDD [CH]1=[CH][CH]=[CH][CH]=[C]1[CH2][C@H](N)[C](=O)O andDDDDDD
|
 PhNO2 | mva* | | 3 | 3 | *O(CC^ZCC^ZCC^Z$3)/7N=O*4/7O011011 | @paranitrolhenol~ |
PhNO2
| 5
| 5
| [CH]1=[CH][C]([N+]([O-])=O)=[CH][CH]=[C]1(O) ODDxDD
|
 phSph | nsu* | sph | 4 | 2 | *1OCC^SC^SC^RCCCCCCCCCC/6O*4/5O*3/4N*2 | any phytosphingosine (2S,3S,4R-2-amino-1,3,4-triol) |
phSph
| 22
| 22
| <ANY>
|
 phSphC18 | nsu* | sph | 97 | 43 | *1OCC^SC^SC^RCCCCCCCCCCCCCC/6O*4/5O*3/4N*2211122222222222223 | phytosphingosine |
phSphC18
| 209
| 209
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C@H](O)[C@@H](N)[CH2]O onoodddddddddddddd
|
 phSphC20 | nsu* | sph | 17 | 5 | *1OCC^SC^SC^RCCCCCCCCCCCCCCCC/6O*4/5O*3/4N*221112222222222222223 | icosaphytosphingosine |
phSphC20
| 14
| 14
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H](O)[C@H](O)[C@@H](N)[CH2]O onoodddddddddddddddd
|
 Phthi | mva* | lip | 7 | 2 | *OCC=^XCC^XCCCCCCCCCCCCCCCCCCCC/8C/6C/4C/3=O001121222222222222222223333 | +C27-phthienoic acid (2,4,6-trimethyl-tetracos-2-enoic acid) |
Phthi
| 12
| 3
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH2][CH]([CH3])[CH]=[C]([CH3])[C](=O)O aDDdddddddddddddddddddddddd
|
 Pp | mva* | | 46 | 13 | *OCCC/3=O023 | propanoic acid |
Pp
| 82
| 43
| [CH3][CH2][C](=O)O add
|
 Pr | mva* | alk | 37 | 21 | *OCCC223 | propanol |
Pr
| 62
| 62
| [CH3][CH2][CH2]O odd
|
 Pro | nsu | pep | 4 | 2 | A2ddh_2-5*N*01222 | proline |
?-Pro L-Pro D-Pro
| 82 11 5
| 40 6 5
| [CH2]1[CH2][CH2][CH](N1)[C](=O)(O) anddx [CH2]1[CH2][CH2][C@H](N1)[C](=O)(O) anddx [CH2]1[CH2][CH2][C@@H](N1)[C](=O)(O) anddx
|
 Protopanaxadiol20s | nsu* | | 16 | 6 | @20S-protopanaxadiol~221012201021102213303221033333 | 20S-protopanaxadiol (dammar-24-en-3b,12b,20S-triol), atom numbering: https://www.researchgate.net/publication/236080758/figure/fig1/AS:601683658829855@1520463971501/The-structure-and-atom-numbering-of-M1.png |
Protopanaxadiol20s
| 76
| 76
| O[C@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])C[C@@H](O)[C@@]4([H])[C@@]3(C)CC[C@@]4([C@@](CC/C=C(C)/C)(C)O)[H])([H])C1(C)C ddoddddddddodddddddodddDDddddd
|
 Protopanaxatriol20s | nsu* | | 5 | 5 | @20S-protopanaxatriol~221011201021102213303221033333 | 20S-protopanaxatriol (dammar-24-en-3b,6a,12b,20S-tetrol) |
Protopanaxatriol20s
| 38
| 38
| O[C@H]1[C@@]([C@]([C@@](CC/C=C(C)C)(C)O)([H])CC2)([H])[C@]2(C)[C@@](C3)(C)[C@@](C1)([H])[C@](CC4)(C)[C@@](C(C)(C)[C@H]4O)([H])[C@H]3O ddoddodddddodddddddodddDDddddd
|
 Pse | non* | ket | 151 | 70 | A?d22111m_5*N_7*N002111113 | pseudaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-manno-non-2-ulosonic) |
b-Psep a-Psep ?-Psep ?-Pse? a-Pse? b-Pse?
| 105 65 16 15 9 7
| 101 63 16 15 7 5
| [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
[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
|
 Pyr | nsu | | 436 | 207 | *OC^XO*/3CO/6=O/3C003 | pyruvic acetal (2-oxopropanoic acid acetal) |
?-Pyr R-Pyr S-Pyr
| 259 160 159
| 226 148 152
| [CH3][C](O)(O)[C](=O)O aAd [CH3][C](O)(O)[C](=O)O aAd [CH3][C](O)(O)[C](=O)O aAd
|
 Quercetin | nsu* | | 107 | 25 | @quercetin~0000010100010011 | 3,5,7,3',4'-pentahydroxyflavone |
Quercetin
| 286
| 285
| O[C]1=C(C2=C[C](O)=[C](O)C=C2)OC3=C([C](O)=[CH][C](O)=[CH]3)C1=O xDOxODODDDDDOODD
|
 Qui | hex | ald | 4 | 3 | ?2122m1 |