CSDB monomer namespace

The table lists residues present in the database and their occurencies.
Click + to view occurencies and atomic patterns for different forms of each residue.
Column explanations are below the table.

To view a list of supported residue and superclass names (including those not present in the database) click here: Residue subdatabase dump


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Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+1,5anhGlc-olhexol22h2122h_1-52111121,5-anhydroglucitol (= 1dGlcp in pyranose form)
+1,5daraHex-olhexol11m122dh3111221,5-dideoxy-arabinohexitol
+1,6anhMurnon*ald66?2122h_1-6_2*N_3*OC^RCO/4=O/3C1111121031,6-anhydro-2-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose (1,6-anhydromuramic acid)
+1,6dFruhexket87m?122m3011131,6-dideoxy-fructose (1,6-dideoxy-arabino-hex-2-ulose)
+10b1C19mvalip109*OCCCCCCCCCC^XCCCCCCCC/12C/3=O0222222221222222233tuberculostearic acid (10-methyl-octadecanoic acid)
+13HOBehnsulip1212*1OCCCCCCCCCCCCC^XCCCCCCCCC/15O*3/3=O022222222222122222222313-hydroxy-docosanoic acid
+15,16HOPamnsulip1818*1OCCCCCCCCCCCCCCC^XCO*16/17O*15/3=O022222222222221215,16-dihydroxy-hexadecanoic acid
+15HOC16={?,?}nsulip11@C16{=,=}0?????????????1315-hydroxy-hexadecadienoic acid
+15HOC16={?}nsulip11@C16{=}0?????????????1315-hydroxy-hexadecenoic acid
+15HOPamnsulip1212*1OCCCCCCCCCCCCCCCC/17O*15/3=O022222222222221315-hydroxy-hexadecanoic acid
+16HOPamnsu*lip55*1OCCCCCCCCCCCCCCCCO*16/3=O022222222222222216-hydroxy-hexadecanoic acid
+16HOPhytnsu*alk63*1OCCC^XCCCC^XCCCC^XCCCC^XC/5C/9C/13C/17C/18O*16221222122212221233333,7,11,15-tetramethyl-hexadecan-1,16-diol
+17HOC18={?,?}nsulip22@C18{=,=}0???????????????1317-hydroxy-octadecadienoic acid
+17HOC18={c9,c12,c15}mvalip33*OCCCCCCCCC=^ZCCC=^ZCCC=^ZCCC/19O*17/3=O02222222112112111317-hydroxy-9Z,12Z,15Z-octadecatrienoic acid
+17HOLinmvalip1414*OCCCCCCCCC=^ZCCC=^ZCCCCCC/19O*17/3=O/02222222112112221317-hydroxy-linoleic acid (17-hydroxy-9Z,12Z-octadecadienoic acid)
+17HOOlensulip117117*1OCCCCCCCCC=^ZCCCCCCCC^XC/19O*17/3=O02222222112222221317-hydroxy-cis-9-octadecenoic acid
+17HOStensulip2725*1OCCCCCCCCCCCCCCCC^XCC/19O*17/3=O02222222222222221317-hydroxy-stearic acid
+18HOOlensu*lip2920*1OCCCCCCCCC=^ZCCCCCCCCC/20O*18/3=O02222222112222222218-hydroxy-cis-9-octadecenoic acid
+18HOStensu*lip33*1OCCCCCCCCCCCCCCCCCC/20O*18/3=O02222222222222222218-hydroxy-stearic acid
+1dAlt-olhexol55m1222h3111121-deoxyaltritol
+1dEry-oltetol2222m22h31121-deoxyerythritol
+1dEry3N-oltetol11m22h_3*N31123-amino-1,3-dideoxyerythritol
+1dGalhexald11d2112h2111121-deoxy-galactose (the same as linear form of 1,5-anhGal-ol, which still has 1-5 cycle)
+1dGlchexald11d2122h2111121-deoxy-glucose (the same as linear form of 1,5-anhGlc-ol, which still has 1-5 cycle)
+2,15,16HOPamnsulip3636*1OCC^XCCCCCCCCCCCCC^XCO*16/17O*15/4O*2/3=O01222222222222122,15,16-trihydroxy-hexadecanoic acid
+2,3HOBznsu* 1714*7OC(CC^ZCC^ZCC^Z$4)/6O*3/5O*2/3=O00011102,3-dihydroxybenzoic acid
+2,3HOiMyrnsulip21*1OCC^XC^XCCCCCCCCCC/14C/5O*3/4O*2/3=O011222222221332,3-dihydroxy-iso-tetradecanoic acid
+2,4HO3,3,4MePro-5-oxonsu 44AxCXA-2x_2-5*N*_3*C_3*C_4*C000003332,4-dihydroxy-3,3,4-trimethyl-5-oxoproline
+2,4HOButnsulip16771*1OCC^XCCO*4/4O*2/3=O01222,4-dihydroxybutanoic acid (3d-glycero-tetronic acid)
+2,5anhManhexald2828A1122h_2-51111122,5-anhydromannose
+2,5anhMan-olhexol2525h1122h_2-52111122,5-anhydromannitol
+2,5anhTalhexald1111A1112h_2-51111122,5-anhydrotalose
+2,5anhTal-olhexol44h1112h_2-52111122,5-anhydrotalitol
+2,6daraHexhexald12995?d122m1211132,6-dideoxy-arabino-hexose (olivose, 2d-Qui = 2d-Rha), 3OMe-derivative = oleandrose
+2,6daraHex3Nhexald74?12d2m_3*N1211133-amino-2,3,6-trideoxy-arabino-hexose
+2,6daraHex4Nhexald22?d122m_4*N1211134-amino-2,4,6-trideoxy-arabino-hexose
+2,6dlyxHexhexald4035?d112m1211132,6-dideoxy-lyxo-hexose (diginose, 2d-Fuc = 2d6d-Tal), D-form: oliose
+2,6dlyxHex3Nhexald33?11d2m_3*N1211133-amino-2,3,6-trideoxy-lyxo-hexose
+2,6dxylHexhexald44?d212m1211132,6-dideoxy-xylo-hexose (sarmentose = boiviniose, 2d6d-Gul = 2d6d-Ido)
+2,7anhKdooct*ket99A?d1122h_2-7002111122,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
+27HOMonnsulip8275*1OCCCCCCCCCCCCCCCCCCCCCCCCCCC^XC/29O*27/3=O022222222222222222222222221327-hydroxy-octacosanoic acid
+27oxoMonnsu*lip66*OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/29=O/3=O022222222222222222222222220327-oxo-octacosanoic acid
+2b14b1C22={2}mvalip22*OCC=^XCC^XCCCCCCCCCCCCCCCC/6C/4C/3=O00112222222222222223332,4-dimethyl-docos-2-enoic acid
+2b14b1C22={t2}mvalip11*OCC=^ECC^XCCCCCCCCCCCCCCCC/6C/4C/3=O00112222222222222223332,4-dimethyl-docos-2Z-enoic acid
+2b14b1Pammva*lip94*OCC^XCC^XCCCCCCCCCC/6C/4C/3=O01212222222223332,4-dimethyl-tetradecanoic acid
+2daraHexhexald33?d122h1211122-deoxy-arabino-hexose (2d-Glc, 2d-Man)
+2daraHexAhexald88?d122A1211102-deoxy-arabino-hexuronic acid (2-deoxyglucuronic acid)
+2dmyoIno3Nnsuino13131d1212_3*N1211112,3-dideoxy-3-amino-myo-inositol
+2dRibpenald11?d22h121122-deoxy-erytro-pentose (2d-Rib = 2d-Ara)
+2dthrPen4Npenald55?d12h_4*N121124-amino-2,4-dideoxy-threo-pentose
+2HOAchnsulip66*1OCC^XCCCCCCCCCCCCCCCCCC/4O*3/3=O012222222222222222232-hydroxy-icosanoic acid
+2HOaiHxonsulip33*1OCC^XC^XCC/5C/4O*2/3=O0112332-hydroxy-3-methyl-pentanoic acid
+2HOBehnsulip3232*1OCC^XCCCCCCCCCCCCCCCCCCCC/4O*2/3=O01222222222222222222232-hydroxy-docosanoic acid
+2HOButnsulip44*1OCC^XCC/4O*2/3=O01232-hydroxybutanoic acid
+2HOC13nsulip22*1OCC^XCCCCCCCCCCC/4O*3/3=O01222222222232-hydroxy-tridecanoic acid
+2HOC15nsulip44*1OCC^XCCCCCCCCCCCCC/4O*3/3=O0122222222222232-hydroxy-pentadecanoic acid
+2HOC16={t3}nsulip1212*1OC^XCC=^ECCCCCCCCCCCCC/4O*2/3=O01112222222222232-hydroxy-trans-3-hexadecenoic acid
+2HOC18={t3}nsulip4646*1OCC^XC=^ECCCCCCCCCCCCCCC/4O*2/3=O0111222222222222232-hydroxy-trans-3-octadecenoic acid
+2HOC25nsulip44*1OCC^XCCCCCCCCCCCCCCCCCCCCCCC/4O*3/3=O01222222222222222222222232-hydroxy-pentacosanoic acid
+2HOCrtnsulip2019*1OCC^XCCCCCCCCCCCCCCCCCCCCCCCC/4O*3/3=O012222222222222222222222232-hydroxy-hexacosanoic acid
+2HOGltnsu 55*1OCC^XCCCO*5/7=O/4O*2/3=O012202-hydroxyglutaric acid
+2HOLaunsulip6654*1OCC^XCCCCCCCCCC/4O*2/3=O0122222222232-hydroxy-dodecanoic acid
+2HOLignsulip119119*1OCC^XCCCCCCCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222222222232-hydroxy-tetracosanoic acid
+2HOMarnsulip55*1OCC^XCCCCCCCCCCCCCCC/4O*3/3=O012222222222222232-hydroxy-margaric acid
+2HOMyrnsulip4747*1OCC^XCCCCCCCCCCCC/4O*2/3=O012222222222232-hydroxy-tetradecanoic acid
+2HOPamnsulip7777*1OCC^XCCCCCCCCCCCCCC/4O*2/3=O01222222222222232-hydroxy-hexadecanoic acid
+2HOStensulip8989*1OCC^XCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222232-hydroxy-stearic acid
+2HOSucnsu 2322*1OCC^XCCO*4/6=O/4O*2/3=O0120malic acid (2-hydroxysuccinic acid)
+2NBznsu* 66*7OC(CC^ECC^ZCC^Z$4)/5N*2/3=O00111102-aminobenzoic acid (anthranilic acid)
+3,4,8HOPhetnsu* 6464*8OCC(CC^ECC^ECC^Z$4$5)/8O*4/7O*3010011223,4,8-trihydroxy-ethylbenzene (phenylethan-3,4,8-triol)
+3,4HO1,3MePro-5-oxonsu 11AxXxA_2-5*N*/2C_3*C01010333,4-dihydroxy-N,3-dimethyl-5-oxoproline
+3,4HOButnsulip1111*1OCCC^XCO*4/5O*3/3=O02123,4-dihydroxybutanoic acid
+3,4HOiC15nsulip22*1OCCC^XC^XCCCCCCCCCC/15C/6O*4/5O*3/3=O0211222222221333,4-dihydroxy-iso-pentadecanoic acid
+3,5HOHexnsu*lip88*1OCCC^XCC^XC/7O*5/5O*3/3=O0212133,5-dihydroxyhexanoic acid
+3,6anhGalhexald199?2112h_3-61111123,6-anhydro-galactose
+3,6dthrHex-4-ulohexald22?1dU2m1120133,6-dideoxy-threo-hexos-4-ulose
+3,7dlyxOct-ulosonicoctket11A?d112dh002111223,7-dideoxy-lyxo-oct-2-ulosonic acid
+3daraHep-ulosonichepket11A?d122h00211123-deoxy-arabino-hept-2-ulosonic acid
+3deryPenpenald66?2d2h112123-deoxy-erytro-pentose (3d-Rib = 3d-Xyl)
+3dgroPen-ulosonicpenket11A?d2h002123-deoxy-glycero-pent-2-ulosonic acid
+3dlyxHep-ulosarichepket3426A?d112A00211103-deoxy-lyxo-hept-2-ulosaric acid (Dha_A when D)
+3dlyxHexhexald11?1d12h1121123-deoxy-lyxo-hexose
+3dthrHex-ulosonichexket11A?d12h0021123-deoxy-threo-hex-2-ulosonic acid
+3dthrPenpenald88?1d2h112123-deoxy-threo-pentose
+3dxylHexhexald22?2d12h1121123-deoxy-xylo-hexose
+3HO2,3MePro-5-oxonsu 1414AaXdA-2x_2-5*N*_2*C_3*C00020333-hydroxy-2,3-dimethyl-5-oxoproline (RR, SS, RS, SR = unknown)
+3HO3MeGltnsu 3434*1OCCC^XCCO*5/7=O/5C/5O*3/3=O0202033-hydroxy-3-methylglutaric acid
+3HOAchnsulip4323*1OCCC^XCCCCCCCCCCCCCCCCC/5O*3/3=O021222222222222222233-hydroxy-icosanoic acid
+3HOBehnsulip21*1OCCC^XCCCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222222233-hydroxy-docosanoic acid
+3HOButnsulip426384*1OCCC^XC/5O*3/3=O02133-hydroxybutanoic acid
+3HOBznsu* 33*7OC(CC^ECC^ZCC^Z$4)/6O*3/3=O01011103-hydroxybenzoic acid (m-hydroxybenzoic acid)
+3HOC13nsulip247*1OCCC^XCCCCCCCCCC/5O*3/3=O02122222222233-hydroxy-tridecanoic acid
+3HOC14={c4}nsulip99*1OCCC^XC=^XCCCCCCCCCC/5O*3/3=O021222222222233-hydroxy-tetradec-4Z-enoic acid
+3HOC15nsulip1010*1OCCC^XCCCCCCCCCCCC/5O*3/3=O0212222222222233-hydroxy-pentadecanoic acid
+3HOC32={19}nsulip11*1OCCC^XCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O021222222222222222112222222222233-hydroxy-dotriacont-19-enoic acid
+3HOCrtnsulip99*1OCCC^XCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O021222222222222222222222233-hydroxy-hexacosanoic acid
+3HODconsulip287151*1OCCC^XCCCCCCC/5O*3/3=O02122222233-hydroxy-decanoic acid
+3HOHxonsulip2121*1OCCC^XCCC/5O*3/3=O0212233-hydroxy-hexanoic acid
+3HOiC13nsulip2312*1OCCC^XCCCCCCCCC/13C/5O*3/3=O02122222221333-hydroxy-iso-tridecanoic acid
+3HOiC15nsulip1413*1OCCC^XCCCCCCCCCCC/15C/5O*3/3=O0212222222221333-hydroxy-iso-pentadecanoic acid
+3HOiMarnsulip4525*1OCCC^XCCCCCCCCCCCCCC/17C/5O*3/3=O021222222222221333-hydroxy-iso-heptadecanoic acid
+3HOiMyrnsulip84*1OCCC^XCCCCCCCCCC/14C/5O*3/3=O021222222221333-hydroxy-iso-tetradecanoic acid
+3HOiVlnsu*lip1616*1OCCCC/5C/5O*3/3=O020333-hydroxy-isovaleric acid
+3HOLaunsulip441195*1OCCC^XCCCCCCCCC/5O*3/3=O0212222222233-hydroxy-dodecanoic acid
+3HOMarnsulip86*1OCCC^XCCCCCCCCCCCCCC/5O*3/3=O021222222222222233-hydroxy-heptadecanoic acid
+3HOMonnsulip1010*1OCCC^XCCCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222222222222233-hydroxy-octacosanoic acid
+3HOMyrnsulip1998682*1OCCC^XCCCCCCCCCCC/5O*3/3=O021222222222233-hydroxy-tetradecanoic acid
+3HOOconsulip2121*1OCCC^XCCCCC/5O*3/3=O021222233-hydroxy-octanoic acid
+3HOPamnsulip252159*1OCCC^XCCCCCCCCCCCCC/5O*3/3=O02122222222222233-hydroxy-hexadecanoic acid
+3HOPronsu*lip108*1OCCCO*3/3=O022beta-lactic acid (3-hydroxypropanoic acid)
+3HOStensulip213107*1OCCC^XCCCCCCCCCCCCCCC/5O*3/3=O0212222222222222233-hydroxy-stearic acid
+3oxoMyrmva*lip2821*OCCCCCCCCCCCCCC/5=O/3=O020222222222233-oxo-tetradecanoic acid
+4,6dlyxHexhexald11?11d2m1112134,6-dideoxy-lyxo-hexose
+4,6dxylHexhexald44?21d2m1112134,6-dideoxy-xylo-hexose (3-O-methyl derivative = halcose)
+4,6dxylHex3Nhexald55?21d2m_3*N1112133-amino-3,4,6-trideoxy-xylo-hexose
+4,7anhKdooct*ket33A?d1122h_4-7002111124,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
+4,8anhKdooct*ket66A?d1122h_4-8002111124,8-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
+4daraHexhexald1712?12d2h1112124-deoxy-arabino-hexose
+4dEry-oltetol66h22m21134-deoxyerythritol (alias for 1-deoxyerythritol ?)
+4deryHex4enhexald22?22eEh1111024-deoxy-erythro-hex-4-enose
+4deryHex4enAhexald77?22eEA1111004-deoxy-erythro-hex-4-enuronic acid
+4deryHex4enNAhexald22?22eEA_2*N1111002-amino-2,4-dideoxy-erythro-hex-4-enuronic acid
+4dlyxHexhexald22?11d2h1112124-deoxy-lyxo-hexose
+4dThre-oltetol55h12m21134-deoxythreitol (alias for 1-deoxytreitol ?)
+4dthrHex4enhexald44?12eEh1111024-deoxy-threo-hex-4-enose
+4dthrHex4enAhexald8785?12eEA1111004-deoxy-threo-hex-4-enuronic acid
+4dthrHex4enNAhexald1717?12eEA_2*N1111002-amino-2,4-dideoxy-threo-hex-4-enuronic acid
+4dxylHexhexald2929?21d2h1112124-deoxy-xylo-hexose
+4eLegnon*ket1515A?d11122m_5*N_7*N0021111134-epilegionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-talo-non-2-ulosonic)
+4HOButnsu*lip4040*1OCCCCO*4/3=O02224-hydroxybutanoic acid
+4HOBznsu* 2222*7OC(CC^ZCC^ECC^Z$4)/7O*4/3=O01101104-hydroxybenzoic acid (p-hydroxybenzoic)
+4NBznsu* 99*7OC(CC^ZCC^ECC^Z$4)/7N*4/3=O01101104-aminobenzoic acid
+5HOiHxonsulip33*1OCC^XCCC/7O*5/5C/3=O0221235-hydroxy-isohexanoic acid
+6dAllhexald2222?2222m1111136-deoxyallose
+6dAll1Nhexald11?2222m_1*N1111131-amino-6-deoxyallose
+6dAlthexald7454?1222m1111136-deoxyaltrose
+6dAltNhexald55?1222m_2*N1111132-amino-2,6-dideoxyaltrose
+6dAltN4Nhexald99?1222m_2*N_4*N1111132,4-diamino-2,4,6-trideoxyaltrose
+6daltHephepald1110?1222dh11111226-deoxy-altro-heptose
+6daraHex-4-ulohexald22?12U2m1110136-deoxy-arabino-hexos-4-ulose
+6daraHexN-4-ulohexald22?12U2m_2*N1110132-amino-2,6-dideoxy-arabino-hexos-4-ulose
+6dFruhexket33h?122m2011136-deoxy-fructose (6-deoxy-arabino-hex-2-ulose)
+6dgalHephepald75?2112dh11111226-deoxy-galacto-heptose
+6dGulhexald1311?2212m1111136-deoxygulose
+6dGul3CMehepald11?2612m_3*C11011336-deoxy-3-C-methylgulose (virenose)
+6dgulHephepald1511?2212dh11111226-deoxy-gulo-heptose
+6didoHephepald43?1212dh11111226-deoxy-ido-heptose
+6dlyxHep-4-ulohepald11?11U2dh11101226-deoxy-lyxo-heptos-4-ulose
+6dlyxHex-4-ulohexald55?11U2m1110136-deoxy-lyxo-hexos-4-ulose
+6dlyxHexN-4-ulohexald11?11U2m_2*N1110132-amino-2,6-dideoxy-lyxo-hexos-4-ulose
+6dmanHephepald6154?1122dh11111226-deoxy-manno-heptose
+6dribHex-3-ulohexald66?2U22m1101136-deoxy-ribo-hexos-3-ulose
+6dTalhexald403312?1112m1111136-deoxytalose
+6dTal-olhexol44h1112m2111136-deoxytalitol
+6dTalNhexald1515?1112m_2*N1111132-amino-2,6-dideoxytalose (pneumosamine if D)
+6dtalHephepald22?1112dh11111226-deoxy-talo-heptose
+6dxylHex-3-ulohexald22?2U12m1101136-deoxy-xylo-hexos-3-ulose
+6dxylHex-4-ulohexald33?21U2m1110136-deoxy-xylo-hexos-4-ulose
+6dxylHexN-4-ulohexald3030?21U2m_2*N1110132-amino-2,6-dideoxy-xylo-hexos-4-ulose
+8eAcinon*ket44A?d21112m_5*N_7*N0021111138-epiacinetaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-altro-non-2-ulosonic)
+8eLegnon*ket7574A?d21121m_5*N_7*N0021111138-epilegionaminic (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-D-galacto-non-2-ulosonic)
+8ePsenon*ket11A?d22112m_5*N_7*N0021111138-epipseudaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-manno-non-2-ulosonic)
+8HONnonsulip11*1OCCCCCCCCC/10O*8/3=O0222222138-hydroxy-nonanoic acid
+9,10,17HOStensulip11*1OCCCCCCCC^XC^XCCCCCCC^XCC/11O*9/12O*10/19O*17/3=O0222222211222222139,10,17-trihydroxy-stearic acid
+9b1Achmvalip11*OCCCCCCCCC^XCCCCCCCCCC/11C/3=O022222221222222222339-methyl-nonadecanoic acid
+9b1SphdC19nsu*sph3029*1OCCCC=^ECCCC=^ECCCCCCCCCC/11C/5O*3/4N*22111122102222222233(4E,8E)-9-methyl-4,8-sphingadienine-C18
+9HObDconsulip1111*1OCCCCCCCC^XC/11O*9/?C0????????2branched 9-hydroxy-decanoic acid
+9HONnonsu*lip11*1OCCCCCCCCC/11O*9/3=O0222222229-hydroxy-nonanoic acid
+Abehex*ald173152?2d12m1121133,6-dideoxy-D-xylo-hexose (abequose), 3dFuc=3,6dGul
+Abunsupep11A2dm_2*N0123aminobutyric acid
+Acmva* 2253011090*OCC/3=O03acetic acid
+AceAhex*ald33?161m_3*CO/2=O1101303C-carboxy-5-deoxy-L-xylofuranose (aceric acid)
+Achmva*lip99*OCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222223arachidic acid (icosanoic acid)
+Acinon*ket55A?d21111m_5*N_7*N002111113acinetaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-altro-non-2-ulosonic)
+Aco3Nhex*ald63?d121m_3*N1211133-amino-2,3,6-trideoxy-L-xylo-hexose (acosamine)
+Aepnsu* 97*1OPCCN*3/3O/3=O0222-amino-ethylphosphonic acid
+Aibnsu*pep52Admm_2*N0033aminoisobutyric acid
+aiC15mvalip1510*OCCCCCCCCCCCC^XCC/14C/3=O022222222221233anteiso-pentadecanoic acid
+aiMarmvalip137*OCCCCCCCCCCCCCCC^XCC/16C/3=O02222222222221233anteiso-heptadecanoic acid
+aiPammvalip11*OCCCCCCCCCCCCC^XCC/15C/3=O0222222222221233anteisopalmitic acid
+aiVlmvalip5849*OCC^XCC/3=O/4C01233anteisovaleric acid (2-methyl-butyric acid)
+Alansupep1040748A2m_2*N013alanine
+ALKmva*alk4033@ALKYL superclass: alcohol residue (alkyl)
+Allhexald1818?2222h111112allose
+All1N5NAhexald3636?2222A_1*N_5*N1111101,5-diamino-1,5-deoxy-alluronic acid
+AllNhexald86?2222h_2*N1111122-amino-2-deoxyallose
+Allylmva* 8181*OCC=C212allyl alcohol
+aLnnmva*lip65*OCCCCCCCCC=^XCCC=^XCCC=^XCCC/3=O/022222221121121123(9,12,15)-linolenic acid (9,12,15-octadecatrienoic acid)
+Althexald4545?1222h111112altrose
+AltAhexald2020?1222A111110altruronic acid
+AltNAhexald2720?1222A_2*N1111102-amino-2-deoxyaltruronic acid
+Ammva* 228212*OCC/3=N13acetimidic acid (HO-C(=NH)-CH3)
+Amihexald33?dd22m1221132,3,6-trideoxy-erythro-hexose (amicetose, default: D)
+Angmva*lip1212*OCC=^ZCC/4C/3=O00133angelic acid ((Z)-2-methylbut-2-enoic acid)
+ANY * 194108 superclass: any residue
+Apipenald106104?26h_3*CO11022apiose (3-C-(hydroxymethyl)-erythro-tetrose)
+Api-olpenol11h26h_3*CO21022apiol (3-C-(hydroxymethyl)-erythro-tetrol)
+Apigeninnsu* 4141@apigenin~00100101000110115,7,4'-trihydroxyflavone
+Arapenald25001473?122h11112arabinose
+Ara-olpenol9389h122h21112arabinitol
+Ara1Npenald11?122h_1*N111121-amino-1-deoxyarabinose
+Ara4Npenald479381?122h_4*N111124-amino-4-deoxyarabinose
+Argnsupep1613A2dddh_2*N_5*1NCN*2/3=N0122201arginine
+Aschex*ald1413?2d11m1121133,6-dideoxy-L-arabino-hexose (ascarilose), 3dRha=3,6dAlt
+Asnnsupep254248A2dA_2*N_4*N0120asparagine
+Aspnsupep2828A2dA_2*N0120aspartic acid
+aThrnsupep6766A22m_2*N0113allothreonine (2S,3S)
+Axe3CMehep*ald66?d121m_3*C12011332,6-dideoxy-3C-methyl-L-xylo-hexose (axenose)
+Behmva*lip54*OCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222223behenic acid (docosanoic)
+Bnmva* 2525*OC(CC^ZCC^ZCC^Z$4)0111112benzoic alcohol
+bResnsu* 33*7OC(CC^ECC^ECC^Z$4)/7O*4/5O*2/3=O00101102,4-dihydroxybenzoic acid (beta-resorcyclic acid)
+Bumva*alk1616*OCCCC2223butanol
+Butmva*lip1717*OCCCC/3=O0223butyric acid
+Bzmva* 10090*OC(CC^ZCC^ZCC^Z$4)/3=O0111110benzoic acid
+C10={2}mva*lip22*OC=^XCCCCCCCCCCC/3=O0112222223dec-2-enoic acid
+C12={5}mva*lip99*OCCCCC=^XCCCCCCC/3=O022211222223dodec-5-enoic acid
+C12={6}mva*lip11*OCCCCCC=^XCCCCCC/3=O022221122223dodec-6-enoic acid
+C12={t6}mva*lip33*OCCCCCC=^ECCCCCC/3=O022221122223dodec-6E-enoic acid
+C13={6}mva*lip11*OCCCCCC=^XCCCCCCC/3=O0222211222223tridec-6-enoic acid
+C13mva*lip22*OCCCCCCCCCCCCC/3=O0222222222223tridecanoic acid
+C14={5}mva*lip22*OCCCCC=^XCCCCCCCCC/3=O02221122222223tetradec-5-enoic acid
+C14={6}mva*lip11*OCCCCCC=^XCCCCCCCC/3=O02222112222223tetradec-6-enoic acid
+C14={7}mva*lip77*OCCCCCCC=^XCCCCCCC/3=O02222211222223tetradec-7-enoic acid
+C14={8}mva*lip11*OCCCCCCCC=^XCCCCCC/3=O02222221122223tetradec-8-enoic acid
+C15={5}mva*lip22*OCCCCC=^XCCCCCCCCCC/3=O022211222222223pentadec-5-enoic acid
+C15={6}mva*lip11*OCCCCCC=^XCCCCCCCCC/3=O022221122222223pentadec-6-enoic acid
+C15mva*lip2621*OCCCCCCCCCCCCCCC/3=O022222222222223pentadecanoic acid
+C16={11}mva*lip44*OCCCCCCCCCCC=^XCCCCC/3=O0222222222112223hexadec-11-enoic acid
+C16={5}mva*lip22*OCCCCC=^XCCCCCCCCCCC/3=O0222112222222223hexadec-5-enoic acid
+C16={6}mva*lip22*OCCCCCC=^XCCCCCCCCCC/3=O0222211222222223hexadec-6-enoic acid
+C16={?,?,?}mva*lip33@C16{=,=,=}0??????????????3hexadecatrienoic acid
+C16={?,?}mva*lip1513@C16{=,=}0??????????????3hexadecadienoic acid
+C16={c7,c10,c13}mva*lip22*OCCCCCCC=^ZCCC=^ZCCC=^ZCCC/3=O0222221121121123cis-7,10,13-hexadecatrienoic acid
+C16={t2,c9}mva*lip77*OCC=^ECCCCCCC=^ZCCCCCCC/3=O0112222211222223trans-2-cis-9-hexadecadienoic acid
+C16={t2,t4,c9}mva*lip22*OCC=^ECC=^ECCCCC=^ZCCCCCCC/3=O0111122211222223trans-2,4-cis-9-hexadecatrienoic acid
+C17={5}mva*lip22*OCCCCC=^XCCCCCCCCCCCC/3=O02221122222222223heptadec-5-enoic acid
+C17={6}mva*lip11*OCCCCCC=^XCCCCCCCCCCC/3=O02222112222222223heptadec-6-enoic acid
+C18={5}mva*lip22*OCCCCC=^XCCCCCCCCCCCCC/3=O022211222222222223octadec-5-enoic acid
+C18={6}mva*lip11*OCCCCCC=^XCCCCCCCCCCCC/3=O022221122222222223octadec-6-enoic acid
+C18={?,?,?,?}mva*lip11@C18{=,=,=,=}0????????????????3octadecatetraenoic acid
+C18={?}mva*lip2525@C18{=}0????????????????3octadecenoic acid
+C18={t2,t4,t6,c11}mva*lip88*OCC=^ECC=^ECC=^ECCCCC=^ZCCCCCCC/3=O/0111111222112222232,4,6-trans-11-cis-octadecatetraenoic acid
+C18={t5,t8,t11,t14}mva*lip11*OCCCCC=^ECCC=^ECCC=^ECCC=^ECCCC/3=O/022211211211211223trans-5,8,11,14-octadecatetraenoic acid
+C18={t9}mva*lip1917*OCCCCCCCCC=^ECCCCCCCCC/3=O/022222221122222223trans-9-octadecenoic acid
+C19c{9,11}mva*lip11*OCCCCCCCCCCCCCCCCCC/12C$11/3=O02222222121222222239,11-cyclo-nonadecanoic acid
+C23={c14}mva*lip11*OCCCCCCCCCCCCCC=^ZCCCCCCCCC/3=O02222222222221122222223cis-14-tricosenoic acid
+C25={c16}mva*lip11*OCCCCCCCCCCCCCCCC=^ZCCCCCCCCC/3=O0222222222222221122222223cis-16-pentacosenoic acid
+Cafnsu* 100100*9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8O*3/3=O010011110caffeic acid (E-3-(3,4-dihydroxyphenyl)-2-propenoic)
+Caryophyllosedod*ald2016?2d21d222m_4*1C^RC/2O*21120121113133,6,10-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-erythro-D-gulo-decose
+Caryosenon*ald266?1d61215m1120111034,8-cyclo-3,9-dideoxy-L-erythro-D-ido-nonose
+Ccrmva*lip66*OCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222222223carboceric acid (heptacosanoic acid)
+cdPammva*lip98*OCCCCCCCCC=^ZCCCCCCC/3=O0222222211222223cis-palmitoleic (hexadecenoic) acid
+CERnsu*lip185185@CERAMIDE superclass: ceramide (N-acylated sphyngoid)
+CetEtNnsu 99*1OCCNC^XCO*3/7=O/6C221302-(1-carboxyethylamino)ethanol [N-(2-hydroxyethyl)alanine]
+chiroInonsuino44112122111111chyro-inositol (D-form: cis-1,2,4-trans-3,5,6-cyclohexanehexol)
+Chonsu* 286222*OCCNC/5C/5C22?choline (2-(trimethylammonio)ethanol)
+Cinnsu* 1919*OCC=^EC(CC^ZCC^ZCC^Z$4)/3=O011111110cinnamic acid (E-3-phenylprop-2-enoic)
+cis-SphC18nsu*sph11*1OCC^SC^RC=^ZCCCCCCCCCCCCCC/5O*3/4N*2211112222222222223cis-sphingosine
+Cmmva* 201173*NCO/3=O carbamic acid (H2N-COOH) (WURCS is given for N-linked Cm)
+Colhex*ald147101?1d21m1121133,6-dideoxy-L-xylo-hexose (colitose), 3dFuc=3,6dGul
+Crtmva*lip2118*OCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222223cerotic acid (hexacosanoic acid)
+cVacmva*lip2121*OCCCCCCCCCCC=^ZCCCCCCC/3=O022222222211222223cis-vaccenic (cis-11-octadecenoic) acid
+Cyanidinnsu* 4646@cyanidin~00010101000100113,3',4',5,7-pentahydroxyflavylium
+Cysnsupep99A2h_2*N_3*S012cysteine
+Dcemva*lip1313*OCCCCCCCCC=C0222222212dec-9-enoic acid
+Dcomva*lip7354*OCCCCCCCCCC/3=O0222222223capric acid (decanoic acid)
+DD3,9dmanNon5N7N-ulosonicnon*ket11A?d11222m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-manno-non-2-ulosonic acid
+DD3,9dthraltNon-onicnon*opn33A1d22212m0121111133,9-dideoxy-D-threo-D-altro-nononic acid
+DDaltHephep*ald55?12222h1111112D-glycero-D-altro-heptose
+DDgalHephep*ald2112?21122h1111112D-glycero-D-galacto-heptose
+DDglcHephep*ald33?21222h1111112D-glycero-D-gluco-heptose
+DDHephep*sug109 alias: DD-heptose
+DDidoHep-olhep*ol11h12122h2111112D-glycero-D-ido-heptitol
+DDmanHephep*ald1059689?11222h1111112D-glycero-D-manno-heptose
+DDmanHep-olhep*ol11h11222h2111112D-glycero-D-manno-heptitol
+Decmva*alk1414*OCCCCCCCCCC2222222223decanol
+Dighexald257145?d222m1211132,6-dideoxy-ribo-hexose (digitoxose, 2d6d-All = 2d6d-Alt), 3OMe-derivative = cymarose
+Dig3CMehepald33?d622m_3*C12011332,6-dideoxy-3-C-methyl-ribohexose (3-C-methyl-digitoxose)
+Diosgeninnsu* 6666@diosgenin~221201211022012113313022123diosgenin (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
+DL3,9dgalNon5N7N-ulosonicnon*ket2323A?d12212m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-galacto-non-2-ulosonic acid
+DL3,9dglcNon5N7N-ulosonicnon*ket55A?d12112m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-gluco-nonulosonic acid
+DLglcHephep*ald1212?12112h1111112D-glycero-L-gluco-heptose
+Dodmva*alk1212*OCCCCCCCCCCCC222222222223dodecanol
+dPammva*lip1717*OCCCCCCCCC=^XCCCCCCC/3=O0222222211222123palmitoleic acid (hexadecenoic acid)
+Echinocysticnsu* 7676@echinocystic~221012201021002101202233333033echinocystic acid (olean-12-en-3b,16a-diol-28-oic acid)
+Ere3N3CMehep*ald42?d611m_3*N_3*C12011333-amino-2,3,6-trideoxy-3-C-methyl-L-arabino-hexose (eremosamine)
+Erwiniosedec*ald66?2d21d2m_4*1C^RC/2O*211201213133,6,8-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-gulo-octose
+Erytetald11?22h1112erythrose
+Ery-oltetol184184h22h2112erythritol
+Ery-onictetopn1717A22h0112erythronic acid
+Etmva*alk3030*OCC23ethanol
+EtNnsu* 17951336*1OCCN*2222-aminoethanol (ethanolamine)
+Etgdi*ol3629hh22ethylene glycol
+Fmva* 33*F fluorine
+Fernsu* 199159*9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8OC/3=O0100111103ferulic acid (E-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic)
+Fomva* 230168*OC=O formic acid
+Fruhexket573406h?122h201112fructose (arabino-hex-2-ulose)
+Fuchexald22851859?2112m1111136-deoxygalactose (fucose)
+Fuc-olhexol44h2112m2111136-deoxy-D-galactitol (D-fucitol), 1-deoxy-D-galactitol (L-fucitol)
+Fuc1N-olhexol22h2112m_1*N2111131-amino-1,6-dideoxy-D-galactitol
+Fuc3Nhexald234202?2112m_3*N1111133-amino-3,6-dideoxygalactose
+Fuc4Nhexald6564?2112m_4*N1111134-amino-4,6-dideoxygalactose (thomosamine if D)
+FucNhexald644587?2112m_2*N1111132-amino-2,6-dideoxygalactose
+FucN-olhexol1515h2112m_2*N2111132-amino-2,6-dideoxy-D-galactitol / 5-amino-1,5-dideoxy-D-galactitol (D/L, respectively)
+FucN4Nhexald189170?2112m_2*N_4*N1111132,4-diamino-2,4,6-trideoxygalactose
+Fusnon*ket66A?d12111m_5*N002111113fusaminic acid (5-amino-3,5,9-trideoxy-L-glycero-L-gluco-nonulosonic)
+Galhexald1481510027?2112h111112galactose
+Gal-olhexol100100h2112h211112galactitol
+Gal1Nhexald22?2112h_1*N1111121-amino-1-deoxygalactose (used for N-glycans)
+Gal3Fhexald22?2112h_3*F1111123-deoxy-3-fluorogalactose
+Gal4N5N-onichexopn11A2112h_4*N_5*N0111124,5-diamino-4,5-dideoxygalactonic acid
+GalAhexald19011453?2112A111110galacturonic acid
+GalA-olhexol11h2112A211110galactitol uronic acid (same as galactonic acid with inverted D
+GalNhexald35673122?2112h_2*N1111122-amino-2-deoxygalactose
+GalN-olhexol1212h2112h_2*N2111122-amino-2-deoxygalactitol
+GalN1Nhexald33?2112h_1*N_2*N1111121,2-diamino-1,2-dideoxygalactose (used for N-glycans)
+GalN3N4NAhexald119?2112A_2*N_3*N_4*N1111102,3,4-triamino-2,3,4-trideoxygalacturonic acid
+GalN3NAhexald3529?2112A_2*N_3*N1111102,3-diamino-2,3-dideoxygalacturonic acid
+GalNAhexald410309?2112A_2*N1111102-amino-2-deoxygalacturonic acid
+Gallicnsu* 3320*7OC(CC^ECC^ZCC^E$4)/8O*5/7O*4/6O*3/3=O01000103,4,5-trihydroxybenzoic acid (gallic acid)
+Gar3Nhep*ald33?215h_3*NC/2C_4*C11102334C-methyl-3-methylamino-3-deoxy-L-arabinose (garosamine)
+Gcnsu*lip6443*1OCCO*2/3=O02glycolic acid (2-hydroxyacetic acid)
+Gentnsu* 66*7OC(CC^ECC^ECC^Z$4)/8O*5/5O*2/3=O00110102,5-dihydroxybenzoic acid (gentisic acid)
+Glchexald2640015435?2122h111112glucose
+Glc-olhexol139139h2122h211112glucitol
+Glc1Nhexald4444?2122h_1*N1111121-amino-1-deoxyglucose (used for N-glycans)
+Glc1N-olhexol22h2122h_1*N2111121-amino-1-deoxyglucitol
+Glc1Shexald66?2122m_1*S1111121-thioglucose (with C-SH bond)
+Glc3Nhexald55?2122h_3*N1111123-amino-3-deoxy-glucose (kanosamine when D)
+Glc3N6Nhexald11?2122h_3*N_6*N1111123,6-diamino-3,6-dideoxyglucose
+Glc3NAhexald169?2122A_3*N1111103-amino-3-deoxyglucuronic acid
+Glc6Nhexald22?2122h_6*N1111126-amino-6-deoxyglucose
+GlcAhexald31512765?2122A111110glucuronic acid
+GlcNhexald1239610088?2122h_2*N1111122-amino-2-deoxyglucose
+GlcN-olhexol183183h2122h_2*N2111122-amino-2-deoxyglucitol
+GlcN-onichexopn2828A2122h_2*N0111122-amino-2-deoxygluconic acid
+GlcN1Nhexald251251?2122h_1*N_2*N1111121,2-diamino-1,2-dideoxyglucose (used for N-glycans)
+GlcN1N-olhexol22h2122h_1*N_2*N2111121,2-diamino-1,2-dideoxyglucitol
+GlcN3Nhexald148144?2122h_2*N_3*N1111122,3-diamino-2,3-dideoxyglucose
+GlcN3NAhexald156136?2122A_2*N_3*N1111102,3-diamino-2,3-dideoxyglucuronic acid
+GlcN4NAhexald22?2122A_2*N_4*N1111102,4-diamino-2,4-dideoxyglucuronic acid
+GlcN6Nhexald1916?2122h_2*N_6*N1111122,6-diamino-2,6-dideoxyglucose
+GlcNAhexald6963?2122A_2*N1111102-amino-2-deoxyglucuronic acid
+Glnnsupep1817A2ddA_2*N_5*N01220glutamine
+Glunsupep209170A2ddA_2*N01220glutamic acid
+Glynsu*pep166139Ah_2*N02glycine
+Glycyrrheticnsu* 3232@glycerrhetic~221012201001002201202223333330enoxolone
+Grotriol14081121h2h212glycerol
+Gro-altriopn2121o2h112glyceraldehyde
+GroAnsulip7474A2h012glyceric acid (2,3-dihydroxypropanoic acid). WURCS is for 1-O(C=O)-linked Lac
+GroNtriol4742h2h_2*N2122-amino-2-deoxyglycerol (2-aminopropane-1,3-diol). Always D.
+Gulhexald99?2212h111112gulose
+Gul4N5N-onichexopn33A2212h_4*N_5*N0111124,5-diamino-4,5-dideoxygulonic acid
+Gul4N5NA-onichexopn11A2212A_4*N_5*N0111104,5-diamino-4,5-dideoxygularic acid
+GulAhexald7564?2212A111110guluronic acid
+GulNhexald33?2212h_2*N1111122-amino-2-deoxygulose
+GulN3NAhexald4039?2212A_2*N_3*N1111102,3-diamino-2,3-dideoxyguluronic acid
+GulNAhexald3430?2212A_2*N1111102-amino-2-deoxyguluronic acid
+Hederageninnsu* 8484@hederagenin~221012201021002201202223333033hederagenin (olean-12-en-3b,23-diol-28-oic acid), atom numbering: https://ars.els-cdn.com/content/image/1-s2.0-S0278691509001951-gr1.jpg
+HEPhep*sug3525QQQQQQQ superclass: heptose
+Hephepsug12665 alias: heptose
+HEXhex*sug2410QQQQQQ superclass: hexose
+Hexhexsug2313 alias: hexose
+Hisnsupep1212A2d_2*N_3*C(C^ZCNC^ZN$3)012011histidine
+HSernsupep44A2dh_2*N0122homoserine
+Hxmva*alk55*OCCCCCC222223hexanol
+Hxomva*lip4123*OCCCCCC/3=O022223hexanoic acid
+Hypnsupep4315A2dxh_2-5*N*01212hydroxyproline (two isomers)
+iButmva*lip6443*OCCC/4C/3=O0133isobutyric acid
+iC13mva*lip32*OCCCCCCCCCCCC/13C/3=O0222222222133iso-tridecanoic acid
+iC15mva*lip1515*OCCCCCCCCCCCCCC/15C/3=O022222222222133iso-pentadecanoic acid
+Idohexald11?1212h111112idose
+IdoAhexald2020?1212A111110iduronic acid
+IdoNhexald22?1212h_2*N1111122-amino-2-deoxyidose
+IdoN6Nhexald66?1212h_2*N_6*N1111122,6-diamino-2,6-dideoxyidose
+iGlnnsupep129Add2A_4*N_5*N02210isoglutamine
+Ilensupep1614A2ddm_2*N_3*C011233isoleucine
+iMurnon*ald22?2122h_2*N_3*OC^SCO/4=O/3C1111121032-amino-3-[(S)-1-carboxyethyl]-2-deoxy-D-glucose (isomuramic acid)
+INOnsu* 141139QQQQQQ superclass: any inositol
+iPammva*lip1812*OCCCCCCCCCCCCCCC/16C/3=O