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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 | 28 | 28 | 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 | 30 | 30 | 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
|
 1,5anhGlc-ol | hex | ol | 2 | 2 | h2122h_1-5211112 | 1,5-anhydroglucitol (= 1dGlcp in pyranose form) |
D-1,5anhGlc-ol
| 2
| 2
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH2]1 xoooxo
|
 1,5daraHex-ol | hex | ol | 1 | 1 | m122dh311122 | 1,5-dideoxy-arabinohexitol |
L-1,5daraHex-ol
| 1
| 1
| [CH2](O)[CH2][C@H](O)[C@H](O)[C@@H](O)[CH3] dooodo
|
 1,6anhMur | non* | ald | 7 | 7 | ?2122h_1-6_2*N_3*OC^RCO/4=O/3C111112103 | 1,6-anhydro-2-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose (1,6-anhydromuramic acid) |
?-1,6anhMurp ?-1,6anhMur? b-1,6anhMurp
| 3 3 1
| 3 3 1
| [CH2](O2)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[CH]21 dnxodddad
2 variants possible; use an icon → dnx??ddad
[CH2](O2)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@H]21 dnxodddad
|
 1,6dFru | hex | ket | 8 | 7 | m?122m301113 | 1,6-dideoxy-fructose (1,6-dideoxy-arabino-hex-2-ulose) |
b-D-1,6dFruf
| 8
| 7
| [CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@](O)1[CH3] dooodd
|
 1,6dGul | hex | ald | 2 | 2 | d2212m211113 | 1,6-dideoxygulose |
?-D-1,6dGulp
| 2
| 2
| [CH3][C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 oooodd
|
 10b1C19 | mva | lip | 14 | 13 | *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 | 8 | 8 | *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 | 12 | 12 | *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 | 19 | 19 | *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
|
 15HOC16={?,?} | nsu | lip | 1 | 1 | @C16{=,=}0?????????????13 | 15-hydroxy-hexadecadienoic acid |
?-15HOC16={?,?}
| 1
| 1
| a?????????????od
|
 15HOC16={?} | nsu | lip | 1 | 1 | @C16{=}0?????????????13 | 15-hydroxy-hexadecenoic acid |
?-15HOC16={?}
| 1
| 1
| a?????????????od
|
 15HOPam | nsu | lip | 13 | 13 | *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
|
 16HOPam | nsu* | lip | 6 | 6 | *1OCCCCCCCCCCCCCCCCO*16/3=O0222222222222222 | 16-hydroxy-hexadecanoic acid |
16HOPam
| 6
| 6
| [CH2](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddo
|
 16HOPhyt | nsu* | alk | 6 | 3 | *1OCCC^XCCCC^XCCCC^XCCCC^XC/5C/9C/13C/17C/18O*1622122212221222123333 | 3,7,11,15-tetramethyl-hexadecan-1,16-diol |
16HOPhyt
| 6
| 3
| [CH2](O)[CH]([CH3])[CH2][CH2][CH2][CH]([CH3])[CH2][CH2][CH2][CH]([CH3])[CH2][CH2][CH2][CH]([CH3])[CH2][CH2](O) oddddddddddddddodddd
|
 17HOBeh | nsu | lip | 10 | 10 | *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 | 4 | @C18{=,=}0???????????????13 | 17-hydroxy-octadecadienoic acid |
?-17HOC18={?,?}
| 4
| 4
| a???????????????od
|
 17HOC18={c9,c12,c15} | mva | lip | 3 | 3 | *OCCCCCCCCC=^ZCCC=^ZCCC=^ZCCC/19O*17/3=O022222221121121113 | 17-hydroxy-9Z,12Z,15Z-octadecatrienoic acid |
?-17HOC18={c9,c12,c15}
| 3
| 3
| [CH3][CH](O)[CH]=[CH][CH2][CH]=[CH][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdDDdDDod
|
 17HOLin | mva | lip | 14 | 14 | *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 | 120 | 120 | *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 | 28 | 26 | *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 | 29 | 20 | *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 | 3 | 3 | *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 | 24 | 24 | 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
|
 1dAll5NA | hex | ald | 2 | 2 | d2222A_5*N211110 | 5-amino-1,5-dideoxy-alluronic acid |
b-D-1dAllf5NA
| 2
| 2
| O[C@@H]1O[C@H]([C@H](N)[C](=O)O)[C@@H](O)[C@H]1O doodna
|
 1dAlt-ol | hex | ol | 5 | 5 | m1222h311112 | 1-deoxyaltritol |
L-1dAlt-ol
| 5
| 5
| [CH2](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH3] dooooo
|
 1dAra | pen | ald | 13 | 13 | d122h21112 | 1-deoxy-arabinose |
a-L-1dArap b-L-1dArap
| 9 4
| 9 4
| [CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 doood
[CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 doood
|
 1dEry-ol | tet | ol | 25 | 25 | 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
|
 1dEry3N-ol | tet | ol | 1 | 1 | m22h_3*N3112 | 3-amino-1,3-dideoxyerythritol |
D-1dEry3N-ol
| 1
| 1
| [CH2](O)[C@@H](N)[C@@H](O)[CH3] dono
|
 1dGal | hex | ald | 9 | 9 | 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 | 195 | 182 | 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
|
 1dRha | hex | ald | 1 | 1 | d1122m211113 | 1,6-dideoxymannose (1-deoxyrhamnose) |
a-L-1dRhap
| 1
| 1
| [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodd
|
 1dRib | pen | ald | 1 | 1 | d222h21112 | 1-deoxy-ribose |
b-D-1dRibf
| 1
| 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@@H](O)[C@H](O)1 ooodo
|
 1dThre-ol | tet | ol | 2 | 2 | m12h3112 | 1-deoxythreitol |
?-1dThre-ol
| 2
| 2
| 2 variants possible; use an icon → dooo
|
 1dXyl | pen | ald | 6 | 6 | d212h21112 | 1-deoxy-xylose |
b-D-1dXylp
| 6
| 6
| [CH2](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 ooood
|
 2,15,16HOPam | nsu | lip | 37 | 37 | *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* | | 21 | 16 | *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
|
 2,3HOiMyr | nsu | lip | 2 | 1 | *1OCC^XC^XCCCCCCCCCC/14C/5O*3/4O*2/3=O01122222222133 | 2,3-dihydroxy-iso-tetradecanoic acid |
?-2,3HOiMyr
| 2
| 1
| [CH3][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH](O)[C](=O)O aooddddddddddd
|
 2,4HO3,3,4MePro-5-oxo | nsu | | 4 | 4 | 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 | 177 | 77 | *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 | 33 | 33 | 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 | 28 | 28 | 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 | 13 | 13 | 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
|
 2,5anhTal-ol | hex | ol | 4 | 4 | h1112h_2-5211112 | 2,5-anhydrotalitol |
D-2,5anhTal-ol
| 4
| 4
| [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@H]1[CH2](O) oxooxo
|
 2,6daraHex | hex | ald | 389 | 268 | ?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
|
 2,6daraHex3N | hex | ald | 7 | 4 | ?12d2m_3*N121113 | 3-amino-2,3,6-trideoxy-arabino-hexose |
b-D-2,6daraHexp3N
| 7
| 4
| [CH3][C@@H](O1)[C@@H](O)[C@H](N)[CH2][C@H](O)1 odnodd
|
 2,6daraHex4N | hex | ald | 2 | 2 | ?d122m_4*N121113 | 4-amino-2,4,6-trideoxy-arabino-hexose |
a-D-2,6daraHexp4N
| 2
| 2
| [CH3][C@@H](O1)[C@@H](N)[C@H](O)[CH2][C@@H](O)1 odondd
|
 2,6dlyxHex | hex | ald | 51 | 46 | ?d112m121113 | 2,6-dideoxy-lyxo-hexose (diginose, 2d-Fuc = 2d6d-Tal), D-form: oliose |
b-D-2,6dlyxHexp a-L-2,6dlyxHexp
| 29 22
| 29 17
| [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
|
 2,6dlyxHex3N | hex | ald | 3 | 3 | ?11d2m_3*N121113 | 3-amino-2,3,6-trideoxy-lyxo-hexose |
a-L-2,6dlyxHexp3N
| 3
| 3
| [CH3][C@H](O1)[C@@H](O)[C@@H](N)[CH2][C@H](O)1 odnodd
|
 2,6dxylHex | hex | ald | 12 | 12 | ?d212m121113 | 2,6-dideoxy-xylo-hexose (sarmentose = boiviniose, 2d6d-Gul = 2d6d-Ido) |
b-D-2,6dxylHexp a-L-2,6dxylHexp
| 9 3
| 9 3
| [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
|
 2,7anhKdo | oct* | ket | 9 | 9 | A?d1122h_2-700211112 | 2,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid |
?-2,7anhKdo? a-2,7anhKdof a-2,7anhKdo?
| 5 3 1
| 5 3 1
| 2 variants possible; use an icon → axdo??xo
[CH2](O)[C@@H](O2)[C@@H](O)[C@H](O1)[C@H](O)[CH2][C@@]21[C](=O)(O) axdodoxo
2 variants possible; use an icon → axdo??xo
|
 27HOMon | nsu | lip | 84 | 77 | *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 | 7 | 7 | *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
|
 2b14b1C22={2} | mva | lip | 1 | 1 | *OCC=^XCC^XCCCCCCCCCCCCCCCC/6C/4C/3=O0011222222222222222333 | 2,4-dimethyl-eicos-2-enoic acid |
?-2b14b1C22={2}
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH]=[C]([CH3])[C](=O)O aDDddddddddddddddddddd
|
 2b14b1C22={t2} | mva | lip | 1 | 1 | *OCC=^ECC^XCCCCCCCCCCCCCCCC/6C/4C/3=O0011222222222222222333 | 2,4-dimethyl-eicos-2E-enoic acid |
S-2b14b1C22={t2}
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@H]([CH3])/[CH]=[C]([CH3])/[C](=O)O aDDddddddddddddddddddd
|
 2b14b1Pam | mva* | lip | 9 | 4 | *OCC^XCC^XCCCCCCCCCC/6C/4C/3=O0121222222222333 | 2,4-dimethyl-tetradecanoic acid |
2b14b1Pam
| 9
| 4
| [CH3][CH2][CH2][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH2][CH]([CH3])[C](=O)O addddddddddddddd
|
 2daraHex | hex | ald | 4 | 4 | ?d122h121112 | 2-deoxy-arabino-hexose (2d-Glc, 2d-Man) |
b-D-2daraHexp a-D-2daraHexp
| 2 2
| 2 2
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@H](O)1 odoodo
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@@H](O)1 odoodo
|
 2daraHexA | hex | ald | 8 | 8 | ?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
|
 2dmyoIno3N | nsu | ino | 13 | 13 | 1d1212_3*N121111 | 2,3-dideoxy-3-amino-myo-inositol |
D-2dmyoIno3N ?-2dmyoIno3N
| 8 5
| 8 5
| [C@@H](O)1[C@@H](O)[C@H](O)[C@@H](N)[CH2][C@@H](O)1 odnooo 2 variants possible; use an icon → odnooo
|
 2dRib | pen | ald | 2 | 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 | 8 | 8 | *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
|
 2HOaiHxo | nsu | lip | 3 | 3 | *1OCC^XC^XCC/5C/4O*2/3=O011233 | 2-hydroxy-3-methyl-pentanoic acid |
?-2HOaiHxo
| 3
| 3
| [CH3][CH2][CH]([CH3])[CH](O)[C](=O)O adoddd
|
 2HOBeh | nsu | lip | 33 | 33 | *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
|
 2HOBut | nsu | lip | 4 | 4 | *1OCC^XCC/4O*2/3=O0123 | 2-hydroxybutanoic acid |
S-2HOBut
| 4
| 4
| [CH3][CH2][C@H](O)[C](=O)O aodd
|
 2HOC13 | nsu | lip | 4 | 4 | *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 | 6 | 6 | *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 | 21 | 21 | *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 | 54 | 54 | *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
|
 2HOC25 | nsu | lip | 4 | 4 | *1OCC^XCCCCCCCCCCCCCCCCCCCCCCC/4O*3/3=O0122222222222222222222223 | 2-hydroxy-pentacosanoic acid |
?-2HOC25
| 4
| 4
| [CH3][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 aoddddddddddddddddddddddd
|
 2HOCrt | nsu | lip | 20 | 19 | *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 | | 5 | 5 | *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 | 79 | 65 | *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 | 123 | 123 | *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 | 7 | 7 | *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 | 52 | 52 | *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 | 94 | 94 | *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 | 97 | 97 | *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 | | 27 | 26 | *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* | | 8 | 8 | *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* | | 196 | 196 | *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 | | 3 | 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
|
 3,4HOBut | nsu | lip | 12 | 12 | *1OCCC^XCO*4/5O*3/3=O0212 | 3,4-dihydroxybutanoic acid |
?-3,4HOBut S-3,4HOBut R-3,4HOBut
| 10 1 1
| 10 1 1
| [CH2](O)[CH](O)[CH2][C](=O)O adoo [CH2](O)[C@H](O)[CH2][C](=O)O adoo [CH2](O)[C@@H](O)[CH2][C](=O)O adoo
|
 3,4HOiC15 | nsu | lip | 2 | 2 | *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 | 9 | 9 | *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
|
 3,6anhGal | hex | ald | 23 | 13 | ?2112h_3-6111112 | 3,6-anhydro-galactose |
a-L-3,6anhGalp b-D-3,6anhGalp ?-L-3,6anhGalp
| 20 2 1
| 10 2 1
| O[C@H]1[C@H]([C@H]2[C@@H]([C@H]([CH2]O2)O1)O)O ooxodx
O[C@H]1[C@@H]([C@@H]2[C@H]([C@@H]([CH2]O2)O1)O)O ooxodx
O[CH]1[C@H]([C@H]2[C@@H]([C@H]([CH2]O2)O1)O)O ooxodx
|
 3,6dthrHex-4-ulo | hex | ald | 2 | 2 | ?1dU2m112013 | 3,6-dideoxy-threo-hexos-4-ulose |
a-D-3,6dthrHexp-4-ulo
| 2
| 2
| [CH3][C@@H](O1)[C](=O)[CH2][C@H](O)[C@@H](O)1 oodxdd
|
 3,7dlyxOct-ulosonic | oct | ket | 1 | 1 | A?d112dh00211122 | 3,7-dideoxy-lyxo-oct-2-ulosonic acid |
a-D-3,7dlyxOct?-ulosonic
| 1
| 1
| 2 variants possible; use an icon → a?do??do
|
 3daraHep-ulosonic | hep | ket | 1 | 1 | A?d122h0021112 | 3-deoxy-arabino-hept-2-ulosonic acid |
a-D-3daraHepp-ulosonic
| 1
| 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@@](O)1[C](=O)(O) aodoodo
|
 3deryPen | pen | ald | 9 | 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
|
 3dgroPen-ulosonic | pen | ket | 1 | 1 | A?d2h00212 | 3-deoxy-glycero-pent-2-ulosonic acid |
?-L-3dgroPen?-ulosonic
| 1
| 1
| [CH2](O1)[C@H](O)[CH2][C](O)1[C](=O)O a?do?
|
 3dlyxHep-ulosaric | hep | ket | 40 | 32 | 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
|
 3dlyxHex | hex | ald | 1 | 1 | ?1d12h112112 | 3-deoxy-lyxo-hexose |
a-D-3dlyxHexp
| 1
| 1
| [CH2](O)[C@@H](O1)[C@H](O)[CH2][C@H](O)[C@@H](O)1 oododo
|
 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??
|
 3dthrPen | pen | ald | 7 | 7 | ?1d2h11212 | 3-deoxy-threo-pentose |
b-D-3dthrPenp
| 7
| 7
| [CH2](O1)[C@@H](O)[CH2][C@H](O)[C@H](O)1 oodod
|
 3dxylHex | hex | ald | 4 | 4 | ?2d12h112112 | 3-deoxy-xylo-hexose |
a-D-3dxylHexp
| 4
| 4
| [CH2](O)[C@@H](O1)[C@H](O)[CH2][C@@H](O)[C@@H](O)1 oododo
|
 3HO2,3MePro-5-oxo | nsu | | 15 | 15 | 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 | | 46 | 46 | *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 | 47 | 25 | *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 | 1 | 1 | *OCC^XCC/3=O/4C/5O*301133 | 3S-hydroxy-anteisovaleric acid (2-methyl-butyric acid) |
R-3HOaiVl
| 1
| 1
| [CH3][C@H](O)[C@@H]([CH3])[C](=O)O adodd
|
 3HOBeh | nsu | lip | 4 | 2 | *1OCCC^XCCCCCCCCCCCCCCCCCCC/5O*3/3=O0212222222222222222223 | 3-hydroxy-docosanoic acid |
?-3HOBeh
| 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 | 521 | 457 | *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
|
 3HOBz | nsu* | | 4 | 4 | *7OC(CC^ECC^ZCC^Z$4)/6O*3/3=O0101110 | 3-hydroxybenzoic acid (m-hydroxybenzoic acid) |
3HOBz
| 4
| 4
| [CH]1=[CH][CH]=[C](O)[CH]=[C]1[C](=O)O DDODDDa
|
 3HOC13 | nsu | lip | 30 | 10 | *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 | 10 | 10 | *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 | 10 | 10 | *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
|
 3HOC32={19} | nsu | lip | 1 | 1 | *1OCCC^XCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222211222222222223 | 3-hydroxy-dotriacont-19-enoic acid |
?-3HOC32={19}
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adodddddddddddddddDDdddddddddddd
|
 3HOCrt | nsu | lip | 9 | 9 | *1OCCC^XCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222222222223 | 3-hydroxy-hexacosanoic acid |
?-3HOCrt
| 9
| 9
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH2][C](=O)O adoddddddddddddddddddddddd
|
 3HODco | nsu | lip | 329 | 177 | *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 | 24 | 24 | *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 | 26 | 14 | *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 | 23 | 21 | *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 | 74 | 41 | *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 | 10 | 5 | *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 | 23 | 23 | *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 | 550 | 242 | *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 | 10 | 8 | *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
|
 3HOMon | nsu | lip | 10 | 10 | *1OCCC^XCCCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O0212222222222222222222222223 | 3-hydroxy-octacosanoic acid |
?-3HOMon
| 10
| 10
| [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][CH](O)[CH2][C](=O)O adoddddddddddddddddddddddddd
|
 3HOMyr | nsu | lip | 2264 | 772 | *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 | 23 | 23 | *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 | 301 | 189 | *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 | 12 | 10 | *1OCCCO*3/3=O022 | beta-lactic acid (3-hydroxypropanoic acid) |
3HOPro
| 12
| 10
| [CH2](O)[CH2][C](=O)O ado
|
 3HOSte | nsu | lip | 231 | 115 | *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 | 29 | 22 | *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
|
 4,6dlyxHex | hex | ald | 1 | 1 | ?11d2m111213 | 4,6-dideoxy-lyxo-hexose |
a-L-4,6dlyxHexp
| 1
| 1
| [CH3][C@H](O1)[CH2][C@@H](O)[C@@H](O)[C@H](O)1 oooddd
|
 4,6dxylHex | hex | ald | 4 | 4 | ?21d2m111213 | 4,6-dideoxy-xylo-hexose (3-O-methyl derivative = halcose) |
b-D-4,6dxylHexp a-D-4,6dxylHexp
| 3 1
| 3 1
| [CH3][C@@H](O1)[CH2][C@H](O)[C@@H](O)[C@H](O)1 oooddd
[CH3][C@@H](O1)[CH2][C@H](O)[C@@H](O)[C@@H](O)1 oooddd
|
 4,6dxylHex3N | hex | ald | 5 | 5 | ?21d2m_3*N111213 | 3-amino-3,4,6-trideoxy-xylo-hexose |
b-D-4,6dxylHexp3N ?-D-4,6dxylHex?3N
| 4 1
| 4 1
| [CH3][C@@H](O1)[CH2][C@H](N)[C@@H](O)[C@H](O)1 oonddd
[CH3][C@@H](O1)[CH2][C@H](N)[C@@H](O)[CH](O)1 ?ond?d
|
 4,7anhKdo | oct* | ket | 9 | 9 | 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 | 6 | 6 | 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 | 17 | 12 | ?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 | 6 | 6 | 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
|
 4deryHex4en | hex | ald | 1 | 1 | ?22eEh111102 | 4-deoxy-erythro-hex-4-enose |
a-L-4deryHexp4en
| 1
| 1
| [CH2](O)/[C](O1)=[CH][C@H](O)[C@H](O)[C@H](O)1 oooDDo
|
 4deryHex4enA | hex | ald | 12 | 12 | ?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 | 5 | 5 | ?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
|
 4dlyxHex | hex | ald | 4 | 4 | ?11d2h111212 | 4-deoxy-lyxo-hexose |
b-D-4dlyxHexp
| 4
| 4
| [CH2](O)[C@@H](O1)[CH2][C@H](O)[C@H](O)[C@H](O)1 oooddo
|
 4dThre-ol | tet | ol | 5 | 5 | h12m2113 | 4-deoxythreitol (alias for 1-deoxytreitol ?) |
L-4dThre-ol
| 5
| 5
| [CH3][C@H](O)[C@@H](O)[CH2](O) dooo
|
 4dthrHex4en | hex | ald | 4 | 4 | ?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 | 91 | 89 | ?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 | 18 | 18 | ?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 | 8 | 8 | ?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 | 15 | 15 | 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 | 39 | 39 | *1OCCCCO*4/3=O0222 | 4-hydroxybutanoic acid |
4HOBut
| 39
| 39
| [CH2](O)[CH2][CH2][C](=O)O addo
|
 4HOBz | nsu* | | 46 | 40 | *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* | | 10 | 10 | *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
|
 5HOiHxo | nsu | lip | 3 | 3 | *1OCC^XCCC/7O*5/5C/3=O022123 | 5-hydroxy-isohexanoic acid |
?-5HOiHxo
| 3
| 3
| [CH2](O)[CH]([CH3])[CH2][CH2][C](=O)O adddod
|
 6dAll | hex | ald | 40 | 40 | ?2222m111113 | 6-deoxyallose |
b-D-6dAllp a-D-6dAllp ?-D-6dAllp
| 33 5 2
| 33 5 2
| [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)[CH](O)1 oooodd
|
 6dAll1N | hex | ald | 1 | 1 | ?2222m_1*N111113 | 1-amino-6-deoxyallose |
b-L-6dAllp1N
| 1
| 1
| [CH3][C@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@@H](N)1 nooodd
|
 6dAlt | hex | ald | 79 | 59 | ?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 | 4 | 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 | 12 | 12 | ?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 | 16 | 15 | ?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
|
 6daraHex-4-ulo | hex | ald | 2 | 2 | ?12U2m111013 | 6-deoxy-arabino-hexos-4-ulose |
?-L-6daraHexp-4-ulo b-L-6daraHexp-4-ulo
| 1 1
| 1 1
| [CH3][C@H](O1)[C](=O)[C@H](O)[C@@H](O)[CH](O)1 oooxdd
[CH3][C@H](O1)[C](=O)[C@H](O)[C@@H](O)[C@@H](O)1 oooxdd
|
 6daraHexN-4-ulo | hex | ald | 2 | 2 | ?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
|
 6dFru | hex | ket | 3 | 3 | h?122m201113 | 6-deoxy-fructose (6-deoxy-arabino-hex-2-ulose) |
b-D-6dFruf
| 3
| 3
| [CH3][C@@H](O1)[C@@H](O)[C@H](O)[C@](O)1[CH2](O) oooodd
|
 6dgalHep | hep | ald | 5 | 4 | ?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 | 19 | 17 | ?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
|
 6dGul3CMe | hep | ald | 1 | 1 | ?2612m_3*C1101133 | 6-deoxy-3-C-methylgulose (virenose) |
?-D-6dGul?3CMe
| 1
| 1
| 3 variants possible; use an icon → ?oo??dd
|
 6dgulHep | hep | ald | 14 | 11 | ?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 | 6 | ?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
|
 6dlyxHep-4-ulo | hep | ald | 1 | 1 | ?11U2dh1110122 | 6-deoxy-lyxo-heptos-4-ulose |
a-D-6dlyxHepp-4-ulo
| 1
| 1
| [CH2](O)[CH2][C@@H](O1)[C](=O)[C@H](O)[C@H](O)[C@@H](O)1 oooxddo
|
 6dlyxHex-4-ulo | hex | ald | 5 | 5 | ?11U2m111013 | 6-deoxy-lyxo-hexos-4-ulose |
a-D-6dlyxHexp-4-ulo b-L-6dlyxHexp-4-ulo a-L-6dlyxHexp-4-ulo
| 3 1 1
| 3 1 1
| [CH3][C@@H](O1)[C](=O)[C@H](O)[C@H](O)[C@@H](O)1 oooxdd
[CH3][C@H](O1)[C](=O)[C@@H](O)[C@@H](O)[C@@H](O)1 oooxdd
[CH3][C@H](O1)[C](=O)[C@@H](O)[C@@H](O)[C@H](O)1 oooxdd
|
 6dlyxHexN-4-ulo | hex | ald | 1 | 1 | ?11U2m_2*N111013 | 2-amino-2,6-dideoxy-lyxo-hexos-4-ulose |
b-L-6dlyxHexpN-4-ulo
| 1
| 1
| [CH3][C@H](O1)[C](=O)[C@@H](O)[C@@H](N)[C@@H](O)1 onoxdd
|
 6dmanHep | hep | ald | 69 | 60 | ?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 | 11 | 11 | ?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 | 483 | 383 | ?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
|
 6dTal-ol | hex | ol | 4 | 4 | h1112m211113 | 6-deoxytalitol |
?-6dTal-ol
| 4
| 4
| 2 variants possible; use an icon → oooood
|
 6dTalN | hex | ald | 18 | 18 | ?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
|
 6dtalHep | hep | ald | 2 | 2 | ?1112dh1111122 | 6-deoxy-talo-heptose |
b-D-6dtalHepp
| 2
| 2
| [CH2](O)[CH2][C@@H](O1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)1 ooooddo
|
 6dxylHex-3-ulo | hex | ald | 2 | 2 | ?2U12m110113 | 6-deoxy-xylo-hexos-3-ulose |
a-D-6dxylHexp-3-ulo
| 2
| 2
| [CH3][C@@H](O1)[C@H](O)[C](=O)[C@@H](O)[C@@H](O)1 ooxodd
|
 6dxylHex-4-ulo | hex | ald | 3 | 3 | ?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 | 32 | 32 | ?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 | 8 | 8 | 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 | 70 | 69 | 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 | 4 | 4 | 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
|
 8HONno | nsu | lip | 1 | 1 | *1OCCCCCCCCC/10O*8/3=O022222213 | 8-hydroxy-nonanoic acid |
?-8HONno
| 1
| 1
| [CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddod
|
 9,10,17HOSte | nsu | lip | 1 | 1 | *1OCCCCCCCC^XC^XCCCCCCC^XCC/11O*9/12O*10/19O*17/3=O022222221122222213 | 9,10,17-trihydroxy-stearic acid |
?-9,10,17HOSte
| 1
| 1
| [CH3][CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH](O)[CH](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddooddddddod
|
 9b1Ach | mva | lip | 2 | 2 | *OCCCCCCCCC^XCCCCCCCCCC/11C/3=O02222222122222222233 | 9-methyl-nonadecanoic acid |
?-9b1Ach
| 2
| 2
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddddddd
|
 9b1SphdC19 | nsu* | sph | 30 | 29 | *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
|
 9HObDco | nsu | lip | 11 | 11 | *1OCCCCCCCC^XC/11O*9/?C0????????2 | branched 9-hydroxy-decanoic acid |
?-9HObDco
| 11
| 11
| adddddddod
|
 9HONno | nsu* | lip | 3 | 3 | *1OCCCCCCCCC/11O*9/3=O022222222 | 9-hydroxy-nonanoic acid |
9HONno
| 3
| 3
| [CH2](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddo
|
 Abe | hex* | ald | 180 | 159 | ?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
|
 Abu | nsu | pep | 1 | 1 | A2dm_2*N0123 | aminobutyric acid |
L-Abu
| 1
| 1
| [CH3][CH2][C@H](N)[C](=O)O andd
|
 Ac | mva* | | 28523 | 13508 | *OCC/3=O03 | acetic acid |
Ac
| 28523
| 13508
| [CH3][C](=O)O ad
|
 AceA | hex* | ald | 9 | 9 | ?161m_3*CO/2=O110130 | 3C-carboxy-5-deoxy-L-xylofuranose (aceric acid) |
b-AcefA ?-AcefA
| 6 3
| 6 3
| [CH3][C@H](O1)[C@@]([C](=O)O)(O)[C@H](O)[C@@H](O)1 ooodda
[CH3][C@H](O1)[C@@]([C](=O)O)(O)[C@H](O)[CH](O)1 ooodda
|
 Ach | mva* | lip | 17 | 16 | *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 | 10 | 10 | 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
|
 Aco3N | hex* | ald | 6 | 3 | ?d121m_3*N121113 | 3-amino-2,3,6-trideoxy-L-xylo-hexose (acosamine) |
b-Acop3N
| 6
| 3
| [CH3][C@H](O1)[C@@H](O)[C@H](N)[CH2][C@@H](O)1 odnodd
|
 Aep | nsu* | | 38 | 32 | *1OPCCN*3/3O/3=O022 | 2-amino-ethylphosphonic acid |
Aep
| 38
| 32
| [CH2](N)[CH2][1P](=O)(O)O adn
|
 Aib | nsu* | pep | 5 | 2 | Admm_2*N0033 | aminoisobutyric acid |
Aib
| 5
| 2
| [CH3][C]([CH3])(N)[C](=O)O andd
|
 aiC15 | mva | lip | 15 | 10 | *OCCCCCCCCCCCC^XCC/14C/3=O022222222221233 | anteiso-pentadecanoic acid |
?-aiC15
| 15
| 10
| [CH3][CH2][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddd
|
 aiMar | mva | lip | 13 | 7 | *OCCCCCCCCCCCCCCC^XCC/16C/3=O02222222222221233 | anteiso-heptadecanoic acid |
?-aiMar
| 13
| 7
| [CH3][CH2][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddd
|
 aiPam | mva | lip | 1 | 1 | *OCCCCCCCCCCCCC^XCC/15C/3=O0222222222221233 | anteisopalmitic acid |
?-aiPam
| 1
| 1
| [CH3][CH2][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddd
|
 aiVl | mva | lip | 78 | 68 | *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 | 1110 | 794 | 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 | 83 | 75 | @ALKYL | superclass: alcohol residue (alkyl) |
ALK
| 83
| 75
| <ANY>
|
 All | hex | ald | 17 | 16 | ?2222h111112 | allose |
b-D-Allp a-L-Allp a-D-Allp b-?-Allp
| 12 2 2 1
| 12 1 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)[C@@H](O)1 oooodo
2 variants possible; use an icon → oooodo
|
 All1N5NA | hex | ald | 36 | 36 | ?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 | 9 | 7 | ?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* | | 88 | 88 | *OCC=C212 | allyl alcohol |
Allyl
| 88
| 88
| [CH2]=[CH][CH2]O oDD
|
 aLnn | mva* | lip | 20 | 13 | *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 | 45 | 45 | ?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 | 26 | 26 | ?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 | 26 | 19 | ?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* | | 233 | 217 | *OCC/3=N13 | acetimidic acid (HO-C(=NH)-CH3) |
Am
| 233
| 217
| [CH3][C](=N)O ad
|
 Ami | hex | ald | 6 | 6 | ?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
|
 Ang | mva* | lip | 48 | 45 | *OCC=^ZCC/4C/3=O00133 | angelic acid ((Z)-2-methylbut-2-enoic acid) |
Ang
| 48
| 45
| [CH3]/[CH]=[C]([CH3])[C](=O)O aDDdd
|
 ANY | * | | 194 | 108 | | superclass: any residue |
ANY
| 194
| 108
| <ANY>
|
 Api | pen | ald | 294 | 281 | ?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
|
 Api-ol | pen | ol | 1 | 1 | h26h_3*CO21022 | apiol (3-C-(hydroxymethyl)-erythro-tetrol) |
?-Api-ol
| 1
| 1
| 2 variants possible; use an icon → ooooo
|
 Apigenin | nsu* | | 130 | 130 | @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 | 3559 | 2280 | ?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 | 106 | 102 | 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
|
 Ara1N | pen | ald | 1 | 1 | ?122h_1*N11112 | 1-amino-1-deoxyarabinose |
b-D-Araf1N
| 1
| 1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H](N)1 noodo
|
 Ara4N | pen | ald | 518 | 403 | ?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?
|
 Arg | nsu | pep | 19 | 16 | A2dddh_2*N_5*1NCN*2/3=N0122201 | arginine |
?-Arg L-Arg
| 16 3
| 13 3
| [CH2](N[C](N)=[7NH])[CH2][CH2][CH](N)[C](=O)O andddNN [CH2](N[C](N)=[7NH])[CH2][CH2][C@H](N)[C](=O)O andddNN
|
 Asc | hex* | ald | 16 | 15 | ?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 | 303 | 295 | 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 | 30 | 30 | 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 | 68 | 67 | 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
|
 Axe3CMe | hep* | ald | 6 | 6 | ?d121m_3*C1201133 | 2,6-dideoxy-3C-methyl-L-xylo-hexose (axenose) |
a-Axep3CMe
| 6
| 6
| [CH3][C@H]1O[C@H](O)[CH2][C@]([CH3])(O)[C@H]1O odooddd
|
 Beh | mva* | lip | 16 | 15 | *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* | | 46 | 46 | *OC(CC^ZCC^ZCC^Z$4)0111112 | benzoic alcohol |
Bn
| 46
| 46
| [CH]1=[CH][CH]=[CH][CH]=[C]1[CH2]O DDDDDDo
|
 bRes | nsu* | | 3 | 3 | *7OC(CC^ECC^ECC^Z$4)/7O*4/5O*2/3=O0010110 | 2,4-dihydroxybenzoic acid (beta-resorcyclic acid) |
bRes
| 3
| 3
| [CH]1=[CH][C](O)=[CH][C](O)=[C]1[C](=O)O DODODDa
|
 Bu | mva* | alk | 24 | 24 | *OCCCC2223 | butanol |
Bu
| 24
| 24
| [CH3][CH2][CH2][CH2]O oddd
|
 But | mva* | lip | 38 | 38 | *OCCCC/3=O0223 | butyric acid |
But
| 38
| 38
| [CH3][CH2][CH2][C](=O)O addd
|
 Bz | mva* | | 190 | 162 | *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
|
 C10={2} | mva* | lip | 2 | 2 | *OC=^XCCCCCCCCCCC/3=O0112222223 | dec-2-enoic acid |
C10={2}
| 2
| 2
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][C](=O)O aDDddddddd
|
 C12={5} | mva* | lip | 9 | 9 | *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
|
 C12={t6} | mva* | lip | 3 | 3 | *OCCCCCC=^ECCCCCC/3=O022221122223 | dodec-6E-enoic acid |
C12={t6}
| 3
| 3
| [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 | 4 | 4 | *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 | 3 | 3 | *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 | 2 | 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 | 8 | 8 | *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 | 2 | 2 | *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={5} | mva* | lip | 2 | 2 | *OCCCCC=^XCCCCCCCCCC/3=O022211222222223 | pentadec-5-enoic acid |
C15={5}
| 2
| 2
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O adddDDddddddddd
|
 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 | 31 | 24 | *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 | 6 | 6 | *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={5} | mva* | lip | 2 | 2 | *OCCCCC=^XCCCCCCCCCCC/3=O0222112222222223 | hexadec-5-enoic acid |
C16={5}
| 2
| 2
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O adddDDdddddddddd
|
 C16={6} | mva* | lip | 4 | 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 | 3 | 3 | @C16{=,=,=}0??????????????3 | hexadecatrienoic acid |
C16={?,?,?}
| 3
| 3
| a???????????????
|
 C16={?,?} | mva* | lip | 17 | 15 | @C16{=,=}0??????????????3 | hexadecadienoic acid |
C16={?,?}
| 17
| 15
| a???????????????
|
 C16={c7,c10,c13} | mva* | lip | 2 | 2 | *OCCCCCCC=^ZCCC=^ZCCC=^ZCCC/3=O0222221121121123 | cis-7,10,13-hexadecatrienoic acid |
C16={c7,c10,c13}
| 2
| 2
| [CH3][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddDDdDDdDDdd
|
 C16={t2,c9} | mva* | lip | 7 | 7 | *OCC=^ECCCCCCC=^ZCCCCCCC/3=O0112222211222223 | trans-2-cis-9-hexadecadienoic acid |
C16={t2,c9}
| 7
| 7
| [CH3][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH]/[C](=O)O aDDdddddDDdddddd
|
 C16={t2,t4,c9} | mva* | lip | 2 | 2 | *OCC=^ECC=^ECCCCC=^ZCCCCCCC/3=O0111122211222223 | trans-2,4-cis-9-hexadecatrienoic acid |
C16={t2,t4,c9}
| 2
| 2
| [CH3][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2]/[CH]=[CH]/[CH]=[CH]/[C](=O)O aDDDDdddDDdddddd
|
 C17={5} | mva* | lip | 2 | 2 | *OCCCCC=^XCCCCCCCCCCCC/3=O02221122222222223 | heptadec-5-enoic acid |
C17={5}
| 2
| 2
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O adddDDddddddddddd
|
 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={5} | mva* | lip | 2 | 2 | *OCCCCC=^XCCCCCCCCCCCCC/3=O022211222222222223 | octadec-5-enoic acid |
C18={5}
| 2
| 2
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O adddDDdddddddddddd
|
 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 | 1 | 1 | @C18{=,=,=,=}0????????????????3 | octadecatetraenoic acid |
C18={?,?,?,?}
| 1
| 1
| a?????????????????
|
 C18={?} | mva* | lip | 37 | 36 | @C18{=}0????????????????3 | octadecenoic acid |
C18={?}
| 37
| 36
| a?????????????????
|
 C18={t2,t4,t6,c11} | mva* | lip | 8 | 8 | *OCC=^ECC=^ECC=^ECCCCC=^ZCCCCCCC/3=O/011111122211222223 | 2,4,6-trans-11-cis-octadecatetraenoic acid |
C18={t2,t4,t6,c11}
| 8
| 8
| [CH3][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2]/[CH]=[CH]/[CH]=[CH]/[CH]=[CH]/[C](=O)O aDDDDDDdddDDdddddd
|
 C18={t5,t8,t11,t14} | mva* | lip | 1 | 1 | *OCCCCC=^ECCC=^ECCC=^ECCC=^ECCCC/3=O/022211211211211223 | trans-5,8,11,14-octadecatetraenoic acid |
C18={t5,t8,t11,t14}
| 1
| 1
| [CH3][CH2][CH2]/[CH]=[CH]/[CH2]/[CH]=[CH]/[CH2]/[CH]=[CH]/[CH2][CH]=[CH][CH2][CH2][CH2][C](=O)O adddDDdDDdDDdDDddd
|
 C18={t9} | mva* | lip | 20 | 18 | *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
|
 C19 | mva* | lip | 8 | 8 | *OCCCCCCCCCCCCCCCCCCC/3=O0222222222222222223 | nonadecanoic acid |
C19
| 8
| 8
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddd
|
 C19c{9,11} | mva* | lip | 1 | 1 | *OCCCCCCCCCCCCCCCCCC/12C$11/3=O0222222212122222223 | 9,11-cyclo-nonadecanoic acid |
C19c{9,11}
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]1[CH2][CH]1[CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddd
|
 C23={c14} | mva* | lip | 1 | 1 | *OCCCCCCCCCCCCCC=^ZCCCCCCCCC/3=O02222222222221122222223 | cis-14-tricosenoic acid |
C23={c14}
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddDDdddddddd
|
 C23 | mva* | lip | 1 | 1 | *OCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222223 | tricosanoic acid |
C23
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddddddd
|
 C25={c16} | mva* | lip | 1 | 1 | *OCCCCCCCCCCCCCCCC=^ZCCCCCCCCC/3=O0222222222222221122222223 | cis-16-pentacosenoic acid |
C25={c16}
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddDDdddddddd
|
 C | nsu* | | 41 | 7 | *OCO*/3=O | carbonic acid |
C
| 41
| 7
| [C](O)(O)=O a
|
 Caf | nsu* | | 277 | 273 | *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 | 25 | 19 | ?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 | 26 | 6 | ?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
|
 Catalpol | nsu* | | 82 | 81 | @catalpol~1011111012 | catalpol aglycon (as in Pubchem, hydroxy function at 1,6,10 |
Catalpol
| 82
| 81
| O[C@H]1[C@H]2([C@@H]([CH]=[CH]O1)[C@@H]([C@H]3[C@@]2(O3)[CH2]O)O) oxDDdoxxdo
|
 Ccr | mva* | lip | 8 | 8 | *OCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222222223 | carboceric acid (heptacosanoic acid) |
Ccr
| 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][C](=O)O adddddddddddddddddddddddddd
|
 cdPam | mva* | lip | 16 | 15 | *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 | 194 | 194 | @CERAMIDE | superclass: ceramide (N-acylated sphyngoid) |
CER
| 194
| 194
| <ANY>
|
 CetEtN | nsu | | 6 | 6 | *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
|
 chiroIno | nsu | ino | 12 | 12 | 112122111111 | chyro-inositol (D-form: cis-1,2,4-trans-3,5,6-cyclohexanehexol) |
D-chiroIno ?-chiroIno
| 11 1
| 11 1
| [C@@H](O)1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 oooooo 2 variants possible; use an icon → oooooo
|
 Cho | nsu* | | 355 | 279 | *OCCNC/5C/5C22? | choline (2-(trimethylammonio)ethanol) |
Cho
| 355
| 279
| C[N+](C)(C)[CH2][CH2]O odx
|
 Cin | nsu* | | 95 | 92 | *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
|
 cis-SphC18 | nsu* | sph | 1 | 1 | *1OCC^SC^RC=^ZCCCCCCCCCCCCCC/5O*3/4N*2211112222222222223 | cis-sphingosine |
cis-SphC18
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][C@@H](O)[C@@H](N)[CH2]O onoDDddddddddddddd
|
 Cm | mva* | | 205 | 177 | *NCO/3=O | carbamic acid (H2N-COOH) (WURCS is given for N-linked Cm) |
Cm
| 205
| 177
| [C](=O)(O)N ?
|
 Col | hex* | ald | 148 | 102 | ?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 | 77 | 74 | *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 | 23 | 23 | *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* | | 108 | 108 | @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 | 14 | 14 | 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
|
 Dce | mva* | lip | 13 | 13 | *OCCCCCCCCC=C0222222212 | dec-9-enoic acid |
Dce
| 13
| 13
| [CH2]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDD
|
 Dco | mva* | lip | 88 | 67 | *OCCCCCCCCCC/3=O0222222223 | capric acid (decanoic acid) |
Dco
| 88
| 67
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddd
|
 DD3,9dmanNon5N7N-ulosonic | non* | ket | 1 | 1 | A?d11222m_5*N_7*N002111113 | 5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-manno-non-2-ulosonic acid |
a-DD3,9dmanNonp5N7N-ulosonic
| 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
|
 DD3,9dthraltNon-onic | non* | opn | 3 | 3 | 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 | 6 | 6 | ?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 | 33 | 15 | ?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
|
 DDglcHep | hep* | ald | 3 | 3 | ?21222h1111112 | D-glycero-D-gluco-heptose |
b-DDglcHepp a-DDglcHepp
| 2 1
| 2 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
|
 DDHep | hep* | sug | 10 | 9 | | alias: DD-heptose |
a-DDHepp
| 10
| 9
| ???????
|
 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 | 1116 | 720 | ?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 | 1 | 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 | 14 | 14 | *OCCCCCCCCCC2222222223 | decanol |
Dec
| 14
| 14
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O oddddddddd
|
 Dig | hex | ald | 767 | 397 | ?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
|
 Dig3CMe | hep | ald | 3 | 3 | ?d622m_3*C1201133 | 2,6-dideoxy-3-C-methyl-ribohexose (3-C-methyl-digitoxose) |
a-L-Digp3CMe ?-L-Dig?3CMe
| 2 1
| 2 1
| [CH3][C@H](O1)[C@H](O)[C@]([CH3])(O)[CH2][C@H](O)1 odooddd
2 variants possible; use an icon → ?do??dd
|
 Diosgenin | nsu* | | 71 | 71 | @diosgenin~221201211022012113313022123 | diosgenin (25R-spirost-5-en-3b-ol), atom numbering: https://www.mdpi.com/molecules/molecules-25-03546/article_deploy/html/images/molecules-25-03546-g001.png |
Diosgenin
| 71
| 71
| C[C@@H]1CC[C@]2(O[CH2]1)[C@@H](C)[C@H]3[C@H](C[C@@H]4[C@]3(C)CC[C@H]5[C@H]4CC=C6[C@]5(C)CC[CH](O)C6)O2 ddodDDddddddddddddddddddddd
|
 DL3,9dgalNon5N7N-ulosonic | non* | ket | 21 | 21 | 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 | 7 | 7 | 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 | 17 | 17 | ?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
|
 Dod | mva* | alk | 24 | 24 | *OCCCCCCCCCCCC222222222223 | dodecanol |
Dod
| 24
| 24
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]O oddddddddddd
|
 dPam | mva* | lip | 24 | 24 | *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
|
 Echinocystic | nsu* | | 99 | 99 | @echinocystic~221012201021002101202233333033 | echinocystic acid (olean-12-en-3b,16a-diol-28-oic acid) |
Echinocystic
| 99
| 99
| CC1(C)[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@@]([C](O)=O)5[C@H](O)C[C@](C)4[C@@](C)3CC[C@@]12[H] ddoddddddddDDddodddddddddddadd
|
 Ere3N3CMe | hep* | ald | 4 | 2 | ?d611m_3*N_3*C1201133 | 3-amino-2,3,6-trideoxy-3-C-methyl-L-arabino-hexose (eremosamine) |
a-Erep3N3CMe
| 4
| 2
| [CH3][C@H](O1)[C@H](O)[C@@]([CH3])(N)[CH2][C@H](O)1 odnoddd
|
 Erwiniose | dec* | ald | 8 | 8 | ?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 | tet | ald | 1 | 1 | ?22h1112 | erythrose |
?-?-Ery?
| 1
| 1
| 4 variants possible; use an icon → ?oo?
|
 Ery-ol | tet | ol | 190 | 190 | 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 | 18 | 18 | 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 | 52 | 52 | *OCC23 | ethanol |
Et
| 52
| 52
| [CH3][CH2]O od
|
 EtN | nsu* | | 2048 | 1545 | *1OCCN*222 | 2-aminoethanol (ethanolamine) |
EtN
| 2048
| 1545
| [CH2](N)[CH2](O) on
|
 Etg | di* | ol | 38 | 31 | hh22 | ethylene glycol |
Etg
| 38
| 31
| [CH2](O)[CH2](O) oo
|
 Etg-al | di* | opn | 7 | 4 | oh12 | glycolaldehyde |
Etg-al
| 7
| 4
| [CH2](O)[CH]=O Ao
|
 F | mva* | | 21 | 4 | *F | fluorine |
F
| 21
| 4
| [1FH] a
|
 Fer | nsu* | | 312 | 258 | *9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8OC/3=O0100111103 | ferulic acid (E-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic) |
Fer
| 312
| 258
| [CH]1=[CH][C](O)=[C](O[CH3])[CH]=[C]1/[CH]=[CH]/[C](=O)O DDDODDDDad
|
 Fo | mva* | | 304 | 187 | *OC=O | formic acid |
Fo
| 304
| 187
| [CH](=O)O a
|
 For | oct* | ald | 2 | 2 | ?dd22m_4*NC/2C12211333 | 4-dimethylamino-2,3,4,6-tetradeoxy-D-erythro-hexose (forosamine) |
a-Forp
| 2
| 2
| [CH3][C@@H](O1)[C@@H](N([CH3])[CH3])[CH2][CH2][C@@H](O)1 oddndddd
|
 Fru | hex | ket | 667 | 478 | 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 | 2991 | 2419 | ?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
|
 Fuc-ol | hex | ol | 4 | 4 | h2112m211113 | 6-deoxy-D-galactitol (D-fucitol), 1-deoxy-D-galactitol (L-fucitol) |
L-Fuc-ol D-Fuc-ol
| 3 1
| 3 1
| [CH3][C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[CH2](O) oooood
[CH3][C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[CH2](O) oooood
|
 Fuc1N-ol | hex | ol | 2 | 2 | h2112m_1*N211113 | 1-amino-1,6-dideoxy-D-galactitol |
?-Fuc1N-ol
| 2
| 2
| 2 variants possible; use an icon → nooood
|
 Fuc3N | hex | ald | 225 | 197 | ?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 | 80 | 77 | ?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 | 731 | 664 | ?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
|
 FucN-ol | hex | ol | 15 | 15 | h2112m_2*N211113 | 2-amino-2,6-dideoxy-D-galactitol / 5-amino-1,5-dideoxy-D-galactitol (D/L, respectively) |
D-FucN-ol L-FucN-ol ?-FucN-ol
| 9 5 1
| 9 5 1
| [CH3][C@@H](O)[C@H](O)[C@H](O)[C@@H](N)[CH2](O) onoood
[CH3][C@H](O)[C@@H](O)[C@@H](O)[C@H](N)[CH2](O) onoood
2 variants possible; use an icon → onoood
|
 FucN4N | hex | ald | 225 | 202 | ?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 | 5 | 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 | 18935 | 12566 | ?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 | 103 | 103 | 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
|
 Gal1N | hex | ald | 2 | 2 | ?2112h_1*N111112 | 1-amino-1-deoxygalactose (used for N-glycans) |
b-D-Galp1N
| 2
| 2
| [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](N)1 nooodo
|
 Gal1S | hex | ald | 1 | 1 | ?2112m_1*S111112 | 1-thiogalactose (with C-SH bond) |
b-D-Galp1S
| 1
| 1
| [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](S)1 hooodo
|
 Gal3F | hex | ald | 2 | 2 | ?2112h_3*F111112 | 3-deoxy-3-fluorogalactose |
a-D-Galp3F
| 2
| 2
| [CH2](O)[C@@H](O1)[C@H](O)[C@H](F)[C@@H](O)[C@@H](O)1 ooxodo
|
 Gal4N5N-onic | hex | opn | 1 | 1 | A2112h_4*N_5*N011112 | 4,5-diamino-4,5-dideoxygalactonic acid |
L-Gal4N5N-onic
| 1
| 1
| [CH2](O)[C@H](N)[C@@H](N)[C@@H](O)[C@H](O)[C](=O)O aoonno
|
 GalA | hex | ald | 2102 | 1561 | ?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
|
 GalA-ol | hex | ol | 1 | 1 | h2112A211110 | galactitol uronic acid (same as galactonic acid with inverted D |
?-GalA-ol
| 1
| 1
| 2 variants possible; use an icon → oooooa
|
 GalN | hex | ald | 4255 | 3673 | ?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 | 18 | 18 | 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
|
 GalN1N | hex | ald | 3 | 3 | ?2112h_1*N_2*N111112 | 1,2-diamino-1,2-dideoxygalactose (used for N-glycans) |
?-D-GalpN1N b-D-GalpN1N
| 2 1
| 2 1
| [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[CH](N)1 nnoodo
[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](N)[C@H](N)1 nnoodo
|
 GalN3N4NA | hex | ald | 8 | 8 | ?2112A_2*N_3*N_4*N111110 | 2,3,4-triamino-2,3,4-trideoxygalacturonic acid |
a-L-GalpN3N4NA
| 8
| 8
| [C](=O)(O)[C@H](O1)[C@@H](N)[C@@H](N)[C@H](N)[C@H](O)1 onnnda
|
 GalN3NA | hex | ald | 37 | 29 | ?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 | 510 | 381 | ?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
|
 Gallic | nsu* | | 224 | 135 | *7OC(CC^ECC^ZCC^E$4)/8O*5/7O*4/6O*3/3=O0100010 | 3,4,5-trihydroxybenzoic acid (gallic acid) |
Gallic
| 224
| 135
| [CH]1=[C](O)[C](O)=[C](O)[CH]=[C]1[C](=O)O DDOOODa
|
 Gar3N | hep* | ald | 3 | 3 | ?215h_3*NC/2C_4*C1110233 | 4C-methyl-3-methylamino-3-deoxy-L-arabinose (garosamine) |
b-Garp3N
| 3
| 3
| [CH2](O1)[C@]([CH3])(O)[C@H](N[CH3])[C@@H](O)[C@@H](O)1 oonoddd
|
 Gc | nsu* | lip | 103 | 79 | *1OCCO*2/3=O02 | glycolic acid (2-hydroxyacetic acid) |
Gc
| 103
| 79
| [CH2](O)[C](=O)O ao
|
 Gent | nsu* | | 8 | 8 | *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 | 34417 | 20732 | ?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 | 155 | 154 | 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 | 54 | 54 | ?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
|
 Glc1N-ol | hex | ol | 2 | 2 | h2122h_1*N211112 | 1-amino-1-deoxyglucitol |
?-Glc1N-ol
| 2
| 2
| 2 variants possible; use an icon → nooooo
|
 Glc1NA | hex | ald | 2 | 2 | ?2122A_1*N111110 | 1-amino-1-deoxyglucuronic acid (used for N-glycans) |
b-D-Glcp1NA
| 2
| 2
| [C](=O)(O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](N)1 noooda
|
 Glc1S | hex | ald | 67 | 67 | ?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 | 6 | 6 | ?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
|
 Glc3N6N | hex | ald | 1 | 1 | ?2122h_3*N_6*N111112 | 3,6-diamino-3,6-dideoxyglucose |
a-D-Glcp3N6N
| 1
| 1
| [CH2](N)[C@@H](O1)[C@@H](O)[C@H](N)[C@@H](O)[C@@H](O)1 oonodn
|
 Glc3NA | hex | ald | 17 | 10 | ?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 | 4 | 4 | ?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 | 3963 | 3525 | ?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 | 15180 | 11904 | ?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 | 208 | 208 | 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 | 28 | 28 | 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 | 293 | 293 | ?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
|
 GlcN1N-ol | hex | ol | 2 | 2 | h2122h_1*N_2*N211112 | 1,2-diamino-1,2-dideoxyglucitol |
D-GlcN1N-ol
| 2
| 2
| [CH2](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)[CH2](N) nnoooo
|
 GlcN3N | hex | ald | 164 | 160 | ?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 | 182 | 157 | ?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
|
 GlcN4NA | hex | ald | 2 | 2 | ?2122A_2*N_4*N111110 | 2,4-diamino-2,4-dideoxyglucuronic acid |
b-?-GlcpN4NA b-D-GlcpN4NA
| 1 1
| 1 1
| 2 variants possible; use an icon → ononda
[C](=O)(O)[C@@H](O1)[C@@H](N)[C@H](O)[C@@H](N)[C@H](O)1 ononda
|
 GlcN6N | hex | ald | 19 | 16 | ?2122h_2*N_6*N111112 | 2,6-diamino-2,6-dideoxyglucose |
a-D-GlcpN6N
| 19
| 16
| [CH2](N)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@@H](O)1 onoodn
|
 GlcNA | hex | ald | 82 | 74 | ?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 | 40 | 39 | 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
|
 gLnn | mva* | lip | 1 | 1 | *OCCCCCC=^XCCC=^XCCC=^XCCCCCC/3=O/022221121121122223 | (6,9,12)-linolenic acid (6,9,12-octadecatrienoic acid) |
gLnn
| 1
| 1
| [CH3][CH2][CH2][CH2][CH2][CH]=[CH][CH2][CH]=[CH][CH2][CH]=[CH][CH2][CH2][CH2][CH2][C](=O)O addddDDdDDdDDddddd
|
 Glu | nsu | pep | 215 | 176 | 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 | 188 | 158 | Ah_2*N02 | glycine |
Gly
| 188
| 158
| [CH2](N)[C](=O)O an
|
 Glycyrrhetic | nsu* | | 36 | 36 | @glycerrhetic~221012201001002201202223333330 | enoxolone |
Glycyrrhetic
| 36
| 36
| [CH2]1[CH2][C@H](O)[C]([CH3])([CH3])[C@@H]2[CH2][CH2][C@]([CH3])3[C@@]([CH3])4[CH2][CH2][C@]([CH3])5[CH2][CH2][C@]([CH3])([C](=O)O)[CH2][C@H]5/[C]4=[CH]/[C](=O)[C@@H]3[C@]([CH3])21 ddodddddddxDDdddddddddddddddda
|
 Gro | tri | ol | 1784 | 1461 | 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
 |