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Residue subdatabase dump
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| Residue |
Size |
Type |
Abundance |
Structures |
WURCSProton count / Atom types / Stereocode |
Description |
|---|
  1,2,6daraHex | hex | ald | 0 | 0 | dd122m221113 | 1,2,6-trideoxy-arabino-hexose (olivose in C-glycoside) |
| no configuration variants are populated | ddoodd (pyranose), ddodod (furanose) |
| 1,3dgroTet-ol | tet | ol | 0 | 0 | m2dh3122 | 1,3-dideoxy-glycero-tetritol |
| no configuration variants are populated | dodo (acyclic) |
| 1,4dxylHex | hex | ald | 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 x21020
[CH2](O)[C@@H](O1)[CH2][C@H](O)[C@@H](O)[CH](O)1 dooddo x21020
|
| 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 021220
|
| 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 021100
|
| 1,6anhGlc | hex | ald | 0 | 0 | ?2122h_1-6211112 | 1,6-anhydroglucose |
| no configuration variants are populated | xooodx (pyranose), xoodox (furanose) |
| 1,6anhGlcN | hex | ald | 0 | 0 | ?2122h_1-6_2*N211112 | 2-amino-1,6-anhydro-2-deoxyglucose |
| no configuration variants are populated | xnoodx (pyranose), xnodox (furanose) |
| 1,6anhMur | non* | ald | 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 x21220010
2 variants possible; use an icon → dnx??ddad x21220010
[CH2](O2)[C@@H](O1)[C@@H](O)[C@H](O[C@H]([CH3])[C](=O)O)[C@@H](N)[C@H]21 dnxodddad 121220010
|
| 1,6dGul | hex | ald | 3 | 3 | d2212m211113 | 1,6-dideoxygulose |
?-D-1,6dGulp
b-D-1,6dGulp
| 2
1
| 2
1
| [CH3][C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[CH](O)1 oooodd x22120
[CH3][C@@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodd 122120
|
| 10b1C19 | mva | lip | 10 | 9 | *OCCCCCCCCCC^XCCCCCCCC/12C/3=O0222222221222222233 | tuberculostearic acid (10-methyl-octadecanoic acid) |
?-10b1C19
R-10b1C19
| 9
1
| 8
1
| [CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddd 0000000004000000000
[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C@@H]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddddd 0000000002000000000
|
| 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 000000000040
|
| 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 0000000000004000000000
[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 0000000000001000000000
|
| 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 0000000000000040
|
| 15HOC16={?,?} | nsu | lip | 1 | 1 | @C16{=,=}0?????????????13 | 15-hydroxy-hexadecadienoic acid |
?-15HOC16={?,?}
| 1
| 1
| a?????????????od 0xxxxxxxxxxxxx40
|
| 15HOC16={?} | nsu | lip | 1 | 1 | @C16{=}0?????????????13 | 15-hydroxy-hexadecenoic acid |
?-15HOC16={?}
| 1
| 1
| a?????????????od 0xxxxxxxxxxxxx40
|
| 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 0000000000000040
|
| 16HOPam | nsu* | lip | 3 | 3 | *1OCCCCCCCCCCCCCCCCO*16/3=O0222222222222222 | 16-hydroxy-hexadecanoic acid |
16HOPam
| 3
| 3
| [CH2](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O addddddddddddddo 0000000000000000
|
| 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 00x000x000x000x00000
|
| 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 0000000000000000400000
|
| 17HOC18={?,?} | nsu | lip | 4 | 4 | @C18{=,=}0???????????????13 | 17-hydroxy-octadecadienoic acid |
?-17HOC18={?,?}
| 4
| 4
| a???????????????od 0xxxxxxxxxxxxxxx40
|
| 17HOC18={?} | nsu | lip | 0 | 0 | @C18{=}0???????????????13 | 17-hydroxy-octadecenoic acid |
| no configuration variants are populated | a???????????????od (acyclic) |
| 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 00000000xx0xx0xx40
|
| 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 00000000xx0xx00040
[CH3][C@@H](O)[CH2][CH2][CH2]/[CH]=[CH][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdDDdddod 00000000xx0xx00020
|
| 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 00000000xx00000040
[CH3][C@@H](O)[CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDddddddod 00000000xx00000020
[CH3][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDddddddod 00000000xx00000010
|
| 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 000000000000000040
[CH3][C@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddod 000000000000000010
[CH3][C@@H](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddddddddddod 000000000000000020
|
| 18HOOle | nsu* | lip | 28 | 19 | *1OCCCCCCCCC=^ZCCCCCCCCC/20O*18/3=O022222221122222222 | 18-hydroxy-cis-9-octadecenoic acid |
18HOOle
| 28
| 19
| [CH2](O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2]/[CH]=[CH][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C](=O)O adddddddDDdddddddo 00000000xx00000000
|
| 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 000000000000000000
|
| 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 x22220
|
| 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 x22220
|
| 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 021110
|
| 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 x2110
[CH2](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 doood x2110
|
| 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 0440
[CH2](O)[C@H](O)[C@H](O)[CH3] dooo 0110
[CH2](O)[C@@H](O)[C@@H](O)[CH3] dooo 0220
|
| 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 0220
|
| 1dGal | hex | ald | 6 | 6 | d2112h211112 | 1-deoxy-galactose (the same as linear form of 1,5-anhGal-ol, which still has 1-5 cycle) |
b-D-1dGalp
a-D-1dGalp
| 5
1
| 5
1
| [CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1 dooodo x21120
[CH2](O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 dooodo x21120
|
| 1dGlc | hex | ald | 191 | 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?
a-D-1dGlcp
?-?-1dGlc?
?-D-1dGlcp
| 182
4
2
2
1
| 173
4
2
2
1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 dooodo x21220
2 variants possible; use an icon → doo??o x21220
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 dooodo x21220
4 variants possible; use an icon → doo??o x43440
[CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[CH2]1 dooodo x21220
|
| 1dOli | hex | ald | 29 | 29 | dd122m221113 | 1,2,6-trideoxy-arabino-hexose (olivose in C-glycoside) |
b-D-1dOlip
| 29
| 29
| [CH3][C@@H](O1)[C@@H](O)[C@H](O)[CH2][C@H](O)1 ddoodd x01220
|
| 1dRha | hex | ald | 2 | 2 | d1122m211113 | 1,6-dideoxymannose (1-deoxyrhamnose) |
a-L-1dRhap
| 2
| 2
| [CH3][C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)1 oooodd x22110
|
| 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 x2220
|
| 1dThre-ol | tet | ol | 2 | 2 | m12h3112 | 1-deoxythreitol |
?-1dThre-ol
| 2
| 2
| 2 variants possible; use an icon → dooo 0340
|
| 1dThre3N-ol | tet | ol | 0 | 0 | m12h_3*N3112 | 3-amino-1,3-dideoxythreitol |
| no configuration variants are populated | dono (acyclic) |
| 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 x2120
|
| 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 04000000000000x0
|
| 2,3HOBz | nsu* | | 11 | 9 | *7OC(CC^ZCC^ZCC^Z$4)/6O*3/5O*2/3=O0001110 | 2,3-dihydroxybenzoic acid |
2,3HOBz
| 11
| 9
| [CH]1=[CH][CH]=[C](O)[C](O)=[C]1[C](=O)O DOODDDa 0000000
|
| 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 04x00000000000
|
| 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) aodoNddd 040x0000
|
| 2,4HOBut | nsu | lip | 169 | 72 | *1OCC^XCCO*4/4O*2/3=O0122 | 2,4-dihydroxybutanoic acid (3d-glycero-tetronic acid) |
S-2,4HOBut
R-2,4HOBut
| 154
15
| 66
6
| [CH2](O)[CH2][C@H](O)[C](=O)O aodo 0100
[CH2](O)[CH2][C@@H](O)[C](=O)O aodo 0200
|
| 2,5anhMan | hex | ald | 31 | 31 | A1122h_2-5111112 | 2,5-anhydromannose |
D-2,5anhMana
?-D-2,5anhMan?
?-?-2,5anhMan?
?-2,5anhMana
| 16
10
4
1
| 16
10
4
1
| [CH2](O)[C@@H](O1)[C@@H](O)[C@H](O)[C@H]1[CH]=O Axooxo 011220
2 variants possible; use an icon → ?xo?xo x11220
4 variants possible; use an icon → ?xo?xo x33440
2 variants possible; use an icon → Axooxo 033440
|
| 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 011220
2 variants possible; use an icon → oxooxo 033440
[CH2](O)[C@H](O1)[C@H](O)[C@@H](O)[C@@H]1[CH2](O) oxooxo 022110
|
| 2,5anhTal | hex | ald | 13 | 13 | A1112h_2-5111112 | 2,5-anhydrotalose |
| D-2,5anhTal |