CSDB monomer namespace

Please note! The statistics on this page is from 2013 (inclusively) till now, as requested

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


Operations on all residues: Expand all Collapse all Filter to the last years

To re-sort the list click the according column name.

Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+1,6anhMurnon*ald11?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)
+10b1C19mvalip54*OCCCCCCCCCC^XCCCCCCCC/12C/3=O0222222221222222233tuberculostearic acid (10-methyl-octadecanoic acid)
+11HOLaunsulip147*1OCCCCCCCCCCC^XC/5O*3/3=O02222222221311-hydroxy-dodecanoic acid
+13HOBehnsulip155*1OCCCCCCCCCCCCC^XCCCCCCCCC/15O*3/3=O022222222222122222222313-hydroxy-docosanoic acid
+15,16HOPamnsulip327*1OCCCCCCCCCCCCCCC^XCO*16/17O*15/3=O022222222222221215,16-dihydroxy-hexadecanoic acid
+15HOPamnsulip53*1OCCCCCCCCCCCCCCCC/17O*15/3=O022222222222221315-hydroxy-hexadecanoic acid
+17HOBehnsulip66*1OCCCCCCCCCCCCCCCCC^XCCCCC/15O*3/3=O022222222222222212222317-hydroxy-docosanoic acid
+17HOC18={?,?}nsulip42@C18{=,=}0???????????????1317-hydroxy-octadecadienoic acid
+17HOLinmvalip458*OCCCCCCCCC=^ZCCC=^ZCCCCCC/19O*17/3=O/02222222112112221317-hydroxy-linoleic acid (17-hydroxy-9Z,12Z-octadecadienoic acid)
+17HOOlensulip35191*1OCCCCCCCCC=^ZCCCCCCCC^XC/19O*17/3=O02222222112222221317-hydroxy-cis-9-octadecenoic acid
+17HOStensulip3915*1OCCCCCCCCCCCCCCCC^XCC/19O*17/3=O02222222222222221317-hydroxy-stearic acid
+18HOOlensu*lip105*1OCCCCCCCCC=^ZCCCCCCCCC/20O*18/3=O02222222112222222218-hydroxy-cis-9-octadecenoic acid
+18HOStensu*lip42*1OCCCCCCCCCCCCCCCCCC/20O*18/3=O02222222222222222218-hydroxy-stearic acid
+1dAllhexald2611d2222h2111121-deoxy-allose
+1dEry-oltetol5014m22h31121-deoxyerythritol
+2,15,16HOPamnsulip6314*1OCC^XCCCCCCCCCCCCC^XCO*16/17O*15/4O*2/3=O01222222222222122,15,16-trihydroxy-hexadecanoic acid
+2,3HOBznsu* 22*7OC(CC^ZCC^ZCC^Z$4)/6O*3/5O*2/3=O00011102,3-dihydroxybenzoic acid
+2,4HOButnsulip84*1OCC^XCCO*4/4O*2/3=O01222,4-dihydroxybutanoic acid (3d-glycero-tetronic acid)
+2,5anhManhexald1010A1122h_2-51111122,5-anhydromannose
+2,5anhMan-olhexol41h1122h_2-52111122,5-anhydromannitol
+2,5anhTalhexald21A1112h_2-51111122,5-anhydrotalose
+2,6daraHexhexald62?d122m1211132,6-dideoxy-arabino-hexose (olivose, 2d-Qui = 2d-Rha), 3OMe-derivative = oleandrose
+2,7anhKdooct*ket182A?d1122h_2-7002111122,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
+27HOMonnsulip2913*1OCCCCCCCCCCCCCCCCCCCCCCCCCCC^XC/29O*27/3=O022222222222222222222222221327-hydroxy-octacosanoic acid
+27oxoMonnsu*lip22*OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/29=O/3=O022222222222222222222222220327-oxo-octacosanoic acid
+2daraHexAhexald44?d122A1211102-deoxy-arabino-hexuronic acid (2-deoxyglucuronic acid)
+2dRibpenald112?d22h121122-deoxy-erytro-pentose (2d-Rib = 2d-Ara)
+2dthrPen4Npenald55?d12h_4*N121124-amino-2,4-dideoxy-threo-pentose
+2HOAchnsulip33*1OCC^XCCCCCCCCCCCCCCCCCC/4O*3/3=O012222222222222222232-hydroxy-icosanoic acid
+2HOBehnsulip116*1OCC^XCCCCCCCCCCCCCCCCCCCC/4O*2/3=O01222222222222222222232-hydroxy-docosanoic acid
+2HOC15nsulip11*1OCC^XCCCCCCCCCCCCC/4O*3/3=O0122222222222232-hydroxy-pentadecanoic acid
+2HOC16={t3}nsulip168*1OC^XCC=^ECCCCCCCCCCCCC/4O*2/3=O01112222222222232-hydroxy-trans-3-hexadecenoic acid
+2HOC18={t3}nsulip5112*1OCC^XC=^ECCCCCCCCCCCCCCC/4O*2/3=O0111222222222222232-hydroxy-trans-3-octadecenoic acid
+2HOCrtnsulip1310*1OCC^XCCCCCCCCCCCCCCCCCCCCCCCC/4O*3/3=O012222222222222222222222232-hydroxy-hexacosanoic acid
+2HOLaunsulip5227*1OCC^XCCCCCCCCCC/4O*2/3=O0122222222232-hydroxy-dodecanoic acid
+2HOLignsulip8335*1OCC^XCCCCCCCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222222222232-hydroxy-tetracosanoic acid
+2HOMarnsulip22*1OCC^XCCCCCCCCCCCCCCC/4O*3/3=O012222222222222232-hydroxy-margaric acid
+2HOMyrnsulip5316*1OCC^XCCCCCCCCCCCC/4O*2/3=O012222222222232-hydroxy-tetradecanoic acid
+2HOPamnsulip12735*1OCC^XCCCCCCCCCCCCCC/4O*2/3=O01222222222222232-hydroxy-hexadecanoic acid
+2HOStensulip10639*1OCC^XCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222232-hydroxy-stearic acid
+2HOSucnsu 64*1OCC^XCCO*4/6=O/4O*2/3=O0120malic acid (2-hydroxysuccinic acid)
+3,4,8HOPhetnsu* 44*8OCC(CC^ECC^ECC^Z$4$5)/8O*4/7O*3010011223,4,8-trihydroxy-ethylbenzene (phenylethan-3,4,8-triol, hydroxytyrosol)
+3,4HO1,3MePro-5-oxonsu 63AxXxA_2-5*N*/2C_3*C01010333,4-dihydroxy-N,3-dimethyl-5-oxoproline
+3,4HOiC15nsulip11*1OCCC^XC^XCCCCCCCCCC/15C/6O*4/5O*3/3=O0211222222221333,4-dihydroxy-iso-pentadecanoic acid
+3,5HOHexnsu*lip44*1OCCC^XCC^XC/7O*5/5O*3/3=O0212133,5-dihydroxyhexanoic acid
+3deryPenpenald729?2d2h112123-deoxy-erytro-pentose (3d-Rib = 3d-Xyl)
+3dlyxHep-ulosarichepket54A?d112A00211103-deoxy-lyxo-hept-2-ulosaric acid (Dha_A when D)
+3dthrHex-ulosonichexket11A?d12h0021123-deoxy-threo-hex-2-ulosonic acid
+3HO2,3MePro-5-oxonsu 22AaXdA-2x_2-5*N*_2*C_3*C00020333-hydroxy-2,3-dimethyl-5-oxoproline (RR, SS, RS, SR = unknown)
+3HO3MeGltnsu 22*1OCCC^XCCO*5/7=O/5C/5O*3/3=O0202033-hydroxy-3-methylglutaric acid
+3HOAchnsulip226*1OCCC^XCCCCCCCCCCCCCCCCC/5O*3/3=O021222222222222222233-hydroxy-icosanoic acid
+3HOBehnsulip21*1OCCC^XCCCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222222233-hydroxy-docosanoic acid
+3HOButnsulip252135*1OCCC^XC/5O*3/3=O02133-hydroxybutanoic acid
+3HOC13nsulip104*1OCCC^XCCCCCCCCCC/5O*3/3=O02122222222233-hydroxy-tridecanoic acid
+3HOC14={c4}nsulip43*1OCCC^XC=^XCCCCCCCCCC/5O*3/3=O021222222222233-hydroxy-tetradec-4Z-enoic acid
+3HOC15nsulip22*1OCCC^XCCCCCCCCCCCC/5O*3/3=O0212222222222233-hydroxy-pentadecanoic acid
+3HODconsulip18070*1OCCC^XCCCCCCC/5O*3/3=O02122222233-hydroxy-decanoic acid
+3HOHxonsulip298*1OCCC^XCCC/5O*3/3=O0212233-hydroxy-hexanoic acid
+3HOiC13nsulip43*1OCCC^XCCCCCCCCC/13C/5O*3/3=O02122222221333-hydroxy-iso-tridecanoic acid
+3HOiMarnsulip115*1OCCC^XCCCCCCCCCCCCCC/17C/5O*3/3=O021222222222221333-hydroxy-iso-heptadecanoic acid
+3HOiMyrnsulip21*1OCCC^XCCCCCCCCCC/14C/5O*3/3=O021222222221333-hydroxy-iso-tetradecanoic acid
+3HOiVlnsu*lip11*1OCCCC/5C/5O*3/3=O020333-hydroxy-isovaleric acid
+3HOLaunsulip21672*1OCCC^XCCCCCCCCC/5O*3/3=O0212222222233-hydroxy-dodecanoic acid
+3HOMarnsulip73*1OCCC^XCCCCCCCCCCCCCC/5O*3/3=O021222222222222233-hydroxy-heptadecanoic acid
+3HOMyrnsulip1017185*1OCCC^XCCCCCCCCCCC/5O*3/3=O021222222222233-hydroxy-tetradecanoic acid
+3HOOconsulip278*1OCCC^XCCCCC/5O*3/3=O021222233-hydroxy-octanoic acid
+3HOPamnsulip24452*1OCCC^XCCCCCCCCCCCCC/5O*3/3=O02122222222222233-hydroxy-hexadecanoic acid
+3HOPronsu*lip11*1OCCCO*3/3=O022beta-lactic acid (3-hydroxypropanoic acid)
+3HOStensulip11326*1OCCC^XCCCCCCCCCCCCCCC/5O*3/3=O0212222222222222233-hydroxy-stearic acid
+3oxoMyrmva*lip97*OCCCCCCCCCCCCCC/5=O/3=O020222222222233-oxo-tetradecanoic acid
+4,7anhKdooct*ket42A?d1122h_4-7002111124,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
+4,8anhKdooct*ket11A?d1122h_4-8002111124,8-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
+4daraHexhexald158?12d2h1112124-deoxy-arabino-hexose
+4dEry-oltetol11h22m21134-deoxyerythritol (alias for 1-deoxyerythritol ?)
+4deryHex4enAhexald66?22eEA1111004-deoxy-erythro-hex-4-enuronic acid
+4deryHex4enNAhexald33?22eEA_2*N1111002-amino-2,4-dideoxy-erythro-hex-4-enuronic acid
+4dthrHex4enAhexald109?12eEA1111004-deoxy-threo-hex-4-enuronic acid
+4dthrHex4enNAhexald54?12eEA_2*N1111002-amino-2,4-dideoxy-threo-hex-4-enuronic acid
+4dxylHexhexald22?21d2h1112124-deoxy-xylo-hexose
+4eLegnon*ket21A?d11122m_5*N_7*N0021111134-epilegionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-talo-non-2-ulosonic)
+4HOButnsu*lip33*1OCCCCO*4/3=O02224-hydroxybutanoic acid
+4HOBznsu* 11*7OC(CC^ZCC^ECC^Z$4)/7O*4/3=O01101104-hydroxybenzoic acid (p-hydroxybenzoic)
+4NBznsu* 22*7OC(CC^ZCC^ECC^Z$4)/7N*4/3=O01101104-aminobenzoic acid
+6dAlthexald3313?1222m1111136-deoxyaltrose
+6dAltNhexald105?1222m_2*N1111132-amino-2,6-dideoxyaltrose
+6dAltN4Nhexald22?1222m_2*N_4*N1111132,4-diamino-2,4,6-trideoxyaltrose
+6daltHephepald1210?1222dh11111226-deoxy-altro-heptose
+6daraHexN-4-ulohexald11?12U2m_2*N1110132-amino-2,6-dideoxy-arabino-hexos-4-ulose
+6dgalHephepald11?2112dh11111226-deoxy-galacto-heptose
+6dGulhexald11?2212m1111136-deoxygulose
+6dgulHephepald94?2212dh11111226-deoxy-gulo-heptose
+6didoHephepald32?1212dh11111226-deoxy-ido-heptose
+6dmanHephepald7514?1122dh11111226-deoxy-manno-heptose
+6dribHex-3-ulohexald22?2U22m1101136-deoxy-ribo-hexos-3-ulose
+6dTalhexald21482?1112m1111136-deoxytalose
+6dTalNhexald124?1112m_2*N1111132-amino-2,6-dideoxytalose (pneumosamine if D)
+6dxylHex-4-ulohexald11?21U2m1110136-deoxy-xylo-hexos-4-ulose
+6dxylHexN-4-ulohexald319?21U2m_2*N1110132-amino-2,6-dideoxy-xylo-hexos-4-ulose
+8eAcinon*ket53A?d21112m_5*N_7*N0021111138-epiacinetaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-altro-non-2-ulosonic)
+8eLegnon*ket3713A?d21121m_5*N_7*N0021111138-epilegionaminic (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-D-galacto-non-2-ulosonic)
+9b1SphdC19nsu*sph9322*1OCCCC=^ECCCC=^ECCCCCCCCCC/11C/5O*3/4N*22111122102222222233(4E,8E)-9-methyl-4,8-sphingadienine-C18
+Abehex*ald10838?2d12m1121133,6-dideoxy-D-xylo-hexose (abequose), 3dFuc=3,6dGul
+Acmva* 195823556*OCC/3=O03acetic acid
+Achmva*lip22*OCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222223arachidic acid (icosanoic acid)
+Acinon*ket134A?d21111m_5*N_7*N002111113acinetaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-altro-non-2-ulosonic)
+Aepnsu* 3412*1OPCCN*3/3O/3=O0222-amino-ethylphosphonic acid
+Aibnsu*pep102Admm_2*N0033aminoisobutyric acid
+aiMarmvalip22*OCCCCCCCCCCCCCCC^XCC/16C/3=O02222222222221233anteiso-heptadecanoic acid
+aiVlmvalip124*OCC^XCC/3=O/4C01233anteisovaleric acid (2-methyl-butyric acid)
+Alansupep404123A2m_2*N013alanine
+ALKmva*alk3822@ALKYL superclass: alcohol residue (alkyl)
+All1N5NAhexald3512?2222A_1*N_5*N1111101,5-diamino-1,5-deoxy-alluronic acid
+AllNhexald32?2222h_2*N1111122-amino-2-deoxyallose
+Allylmva* 198*OCC=C212allyl alcohol
+aLnnmva*lip11*OCCCCCCCCC=^XCCC=^XCCC=^XCCC/3=O/022222221121121123(9,12,15)-linolenic acid (9,12,15-octadecatrienoic acid)
+Althexald4221?1222h111112altrose
+AltAhexald2916?1222A111110altruronic acid
+AltNAhexald136?1222A_2*N1111102-amino-2-deoxyaltruronic acid
+Ammva* 9760*OCC/3=N13acetimidic acid (HO-C(=NH)-CH3)
+Amihexald11?dd22m1221132,3,6-trideoxy-erythro-hexose (amicetose, default: D)
+ANY * 21 superclass: any residue
+Apipenald11?26h_3*CO11022apiose (3-C-(hydroxymethyl)-erythro-tetrose)
+Apigeninnsu* 76@apigenin~00100101000110115,7,4'-trihydroxyflavone
+Arapenald2994149?122h11112arabinose
+Ara-olpenol5932h122h21112arabinitol
+Ara4Npenald22377?122h_4*N111124-amino-4-deoxyarabinose
+Aschex*ald75?2d11m1121133,6-dideoxy-L-arabino-hexose (ascarilose), 3dRha=3,6dAlt
+Asnnsupep5444A2dA_2*N_4*N0120asparagine
+Aspnsupep66A2dA_2*N0120aspartic acid
+aThrnsupep115A22m_2*N0113allothreonine (2S,3S)
+Behmva*lip32*OCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222223behenic acid (docosanoic)
+Bnmva* 298*OC(CC^ZCC^ZCC^Z$4)0111112benzoic alcohol
+Bumva*alk1310*OCCCC2223butanol
+Butmva*lip209*OCCCC/3=O0223butyric acid
+Bzmva* 51*OC(CC^ZCC^ZCC^Z$4)/3=O0111110benzoic acid
+C12={5}mva*lip22*OCCCCC=^XCCCCCCC/3=O022211222223dodec-5-enoic acid
+C13mva*lip33*OCCCCCCCCCCCCC/3=O0222222222223tridecanoic acid
+C14={5}mva*lip11*OCCCCC=^XCCCCCCCCC/3=O02221122222223tetradec-5-enoic acid
+C14={7}mva*lip43*OCCCCCCC=^XCCCCCCC/3=O02222211222223tetradec-7-enoic acid
+C14={8}mva*lip11*OCCCCCCCC=^XCCCCCC/3=O02222221122223tetradec-8-enoic acid
+C15mva*lip95*OCCCCCCCCCCCCCCC/3=O022222222222223pentadecanoic acid
+C16={6}mva*lip11*OCCCCCC=^XCCCCCCCCCC/3=O0222211222222223hexadec-6-enoic acid
+C16={?,?}mva*lip22@C16{=,=}0??????????????3hexadecadienoic acid
+C16={t2,c9}mva*lip22*OCC=^ECCCCCCC=^ZCCCCCCC/3=O0112222211222223trans-2-cis-9-hexadecadienoic acid
+C18={?}mva*lip3014@C18{=}0????????????????3octadecenoic acid
+C18={t2,t4,t6,c11}mva*lip11*OCC=^ECC=^ECC=^ECCCCC=^ZCCCCCCC/3=O/0111111222112222232,4,6-trans-11-cis-octadecatetraenoic acid
+C18={t9}mva*lip344*OCCCCCCCCC=^ECCCCCCCCC/3=O/022222221122222223trans-9-octadecenoic acid
+Cnsu* 21*OCO*/3=O carbonic acid
+Cafnsu* 22*9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8O*3/3=O010011110caffeic acid (E-3-(3,4-dihydroxyphenyl)-2-propenoic)
+Caryophyllosedod*ald85?2d21d222m_4*1C^RC/2O*21120121113133,6,10-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-erythro-D-gulo-decose
+Caryosenon*ald21?1d61215m1120111034,8-cyclo-3,9-dideoxy-L-erythro-D-ido-nonose
+cdPammva*lip33*OCCCCCCCCC=^ZCCCCCCC/3=O0222222211222223cis-palmitoleic (hexadecenoic) acid
+CERnsu*lip23553@CERAMIDE superclass: ceramide (N-acylated sphyngoid)
+CetEtNnsu 11*1OCCNC^XCO*3/7=O/6C221302-(1-carboxyethylamino)ethanol [N-(2-hydroxyethyl)alanine]
+Chonsu* 12855*OCCNC/5C/5C22?choline (2-(trimethylammonio)ethanol)
+Cinnsu* 62*OCC=^EC(CC^ZCC^ZCC^Z$4)/3=O011111110cinnamic acid (E-3-phenylprop-2-enoic)
+Cmmva* 2813*NCO/3=O carbamic acid (H2N-COOH) (WURCS is given for N-linked Cm)
+Colhex*ald7827?1d21m1121133,6-dideoxy-L-xylo-hexose (colitose), 3dFuc=3,6dGul
+Crtmva*lip2711*OCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222223cerotic acid (hexacosanoic acid)
+cVacmva*lip44*OCCCCCCCCCCC=^ZCCCCCCC/3=O022222222211222223cis-vaccenic (cis-11-octadecenoic) acid
+Cyanidinnsu* 99@cyanidin~00010101000100113,3',4',5,7-pentahydroxyflavylium
+Cysnsupep195A2h_2*N_3*S012cysteine
+Dcomva*lip3618*OCCCCCCCCCC/3=O0222222223capric acid (decanoic acid)
+DD3,9dthraltNon-onicnon*opn11A1d22212m0121111133,9-dideoxy-D-threo-D-altro-nononic acid
+DDaltHephep*ald33?12222h1111112D-glycero-D-altro-heptose
+DDgalHephep*ald243?21122h1111112D-glycero-D-galacto-heptose
+DDidoHep-olhep*ol11h12122h2111112D-glycero-D-ido-heptitol
+DDmanHephep*ald442103?11222h1111112D-glycero-D-manno-heptose
+DDmanHep-olhep*ol61h11222h2111112D-glycero-D-manno-heptitol
+Decmva*alk74*OCCCCCCCCCC2222222223decanol
+Dighexald1812?d222m1211132,6-dideoxy-ribo-hexose (digitoxose, 2d6d-All = 2d6d-Alt), 3OMe-derivative = cymarose
+DL3,9dgalNon5N7N-ulosonicnon*ket33A?d12212m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-galacto-non-2-ulosonic acid
+DL3,9dglcNon5N7N-ulosonicnon*ket106A?d12112m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-gluco-nonulosonic acid
+DLglcHephep*ald247?12112h1111112D-glycero-L-gluco-heptose
+dPammva*lip106*OCCCCCCCCC=^XCCCCCCC/3=O0222222211222123palmitoleic acid (hexadecenoic acid)
+Erwiniosedec*ald53?2d21d2m_4*1C^RC/2O*211201213133,6,8-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-gulo-octose
+Ery-oltetol53967h22h2112erythritol
+Ery-onictetopn64A22h0112erythronic acid
+Etmva*alk3317*OCC23ethanol
+EtNnsu* 948344*1OCCN*2222-aminoethanol (ethanolamine)
+Etgdi*ol126hh22ethylene glycol
+Fomva* 36952*OC=O formic acid
+Fruhexket69673h?122h201112fructose (arabino-hex-2-ulose)
+Fuchexald1090446?2112m1111136-deoxygalactose (fucose)
+Fuc1N-olhexol22h2112m_1*N2111131-amino-1,6-dideoxy-D-galactitol
+Fuc3Nhexald13056?2112m_3*N1111133-amino-3,6-dideoxygalactose
+Fuc4Nhexald4218?2112m_4*N1111134-amino-4,6-dideoxygalactose (thomosamine if D)
+FucNhexald505236?2112m_2*N1111132-amino-2,6-dideoxygalactose
+FucN4Nhexald10867?2112m_2*N_4*N1111132,4-diamino-2,4,6-trideoxygalactose
+Fusnon*ket126A?d12111m_5*N002111113fusaminic acid (5-amino-3,5,9-trideoxy-L-glycero-L-gluco-nonulosonic)
+Galhexald114773099?2112h111112galactose
+Gal-olhexol105h2112h211112galactitol
+GalAhexald642292?2112A111110galacturonic acid
+GalNhexald2193907?2112h_2*N1111122-amino-2-deoxygalactose
+GalN-olhexol33h2112h_2*N2111122-amino-2-deoxygalactitol
+GalN3NAhexald22?2112A_2*N_3*N1111102,3-diamino-2,3-dideoxygalacturonic acid
+GalNAhexald303108?2112A_2*N1111102-amino-2-deoxygalacturonic acid
+Gcnsu*lip1811*1OCCO*2/3=O02glycolic acid (2-hydroxyacetic acid)
+Gentnsu* 22*7OC(CC^ECC^ECC^Z$4)/8O*5/5O*2/3=O00110102,5-dihydroxybenzoic acid (gentisic acid)
+Glchexald191553952?2122h111112glucose
+Glc-olhexol368h2122h211112glucitol
+Glc1Nhexald2517?2122h_1*N1111121-amino-1-deoxyglucose (used for N-glycans)
+Glc1Shexald179?2122m_1*S1111121-thioglucose (with C-SH bond)
+Glc3Nhexald22?2122h_3*N1111123-amino-3-deoxy-glucose (kanosamine when D)
+Glc6Nhexald22?2122h_6*N1111126-amino-6-deoxyglucose
+GlcAhexald1590678?2122A111110glucuronic acid
+GlcNhexald101252965?2122h_2*N1111122-amino-2-deoxyglucose
+GlcN-olhexol35885h2122h_2*N2111122-amino-2-deoxyglucitol
+GlcN-onichexopn94A2122h_2*N0111122-amino-2-deoxygluconic acid
+GlcN1Nhexald6757?2122h_1*N_2*N1111121,2-diamino-1,2-dideoxyglucose (used for N-glycans)
+GlcN3Nhexald10651?2122h_2*N_3*N1111122,3-diamino-2,3-dideoxyglucose
+GlcN3NAhexald14253?2122A_2*N_3*N1111102,3-diamino-2,3-dideoxyglucuronic acid
+GlcNAhexald4826?2122A_2*N1111102-amino-2-deoxyglucuronic acid
+Glnnsupep44A2ddA_2*N_5*N01220glutamine
+Glunsupep137A2ddA_2*N01220glutamic acid
+Glynsu*pep9437Ah_2*N02glycine
+Grotriol1090341h2h212glycerol
+Gro-altriopn96o2h112glyceraldehyde
+GroAnsulip2822A2h012glyceric acid (2,3-dihydroxypropanoic acid). WURCS is for 1-O(C=O)-linked Lac
+GroNtriol5817h2h_2*N2122-amino-2-deoxyglycerol (2-aminopropane-1,3-diol). Always D.
+Gulhexald11?2212h111112gulose
+GulAhexald175?2212A111110guluronic acid
+GulN3NAhexald159?2212A_2*N_3*N1111102,3-diamino-2,3-dideoxyguluronic acid
+GulNAhexald1818?2212A_2*N1111102-amino-2-deoxyguluronic acid
+Hephepsug11424 alias: heptose
+HEPhep*sug81QQQQQQQ superclass: heptose
+Hexhexsug42 alias: hexose
+HEXhex*sug526QQQQQQ superclass: hexose
+HSernsupep11A2dh_2*N0122homoserine
+Hxmva*alk63*OCCCCCC222223hexanol
+Hxomva*lip3911*OCCCCCC/3=O022223hexanoic acid
+Hypnsupep162A2dxh_2-5*N*01212hydroxyproline (two isomers)
+iButmva*lip156*OCCC/4C/3=O0133isobutyric acid
+iC13mva*lip22*OCCCCCCCCCCCC/13C/3=O0222222222133iso-tridecanoic acid
+iC15mva*lip106*OCCCCCCCCCCCCCC/15C/3=O022222222222133iso-pentadecanoic acid
+IdoAhexald146?1212A111110iduronic acid
+iGlnnsupep11Add2A_4*N_5*N02210isoglutamine
+Ilensupep42A2ddm_2*N_3*C011233isoleucine
+INOnsu* 7544QQQQQQ superclass: any inositol
+iPammva*lip11*OCCCCCCCCCCCCCCC/16C/3=O0222222222222133isopalmitic acid
+iPrmva*alk11*OCC/3C133isopropanol
+Ivansupep184A2dm_2*N_2*C00233isovaline (a-methyl-aminobutyric acid)
+iVlmva*lip43*OCCCC/5C/3=O02133isovaleric acid
+Kaempferolnsu* 1310@kaempferol~00000101000110113,5,7,4'-tetrahydroxyflavone
+Kdnnon*ket3119A?d21122h002111112ketodeoxynononic acid (3-deoxy-D-glycero-D-galacto-non-2-ulosonic)
+Kdooct*ket1138448A?d1122h00211112ketodeoxyoctonic acid (3-deoxy-D-manno-oct-2-ulosonic acid)
+Kdo8Noct*ket43A?d1122h_8*N002111128-amino-3,8-dideoxy-D-manno-oct-2-ulosonic acid
+Kooct*ket3828A?11122h00111112ketooctonic acid (D-glycero-D-talo-oct-2-ulosonic acid)
+Lacnsulip14191*1OCC^XO*2/4C/3=O013lactic acid (2-hydroxypropanoic acid) (substituent for 2-ether: 1-carboxyethyl). WURCS is for 1-O-linked Lac
+Laumva*lip229118*OCCCCCCCCCCCC/3=O022222222223lauric acid (dodecanoic acid)
+LDidoHephep*ald22?12121h1111112L-glycero-D-ido-heptose
+LDmanHephep*ald1691287?11221h1111112L-glycero-D-manno-heptose
+Legnon*ket5128A?d21122m_5*N_7*N002111113legionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-galacto-non-2-ulosonic)
+Leunsupep124A2ddm_2*N_4*C012133leucine
+Ligmva*lip95*OCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222223lignoceric acid (tetracosanoic acid)
+Linmva*lip218*OCCCCCCCCC=^ZCCC=^ZCCCCCC/3=O/022222221121122223linoleic acid (cis,cis-9,12-octadecadienoic acid)
+LIPnsu*lip1672210A superclass: lipid residue
+Lysnsupep2715A2dddh_2*N_6*N012222lysine
+Lyxpenald43?112h11112lyxose
+Lyx-olpenol32h112h21112lyxitol
+Malnsu* 44*OCCCO*/5=O/3=O020malonic acid (HOOC-CH2-COOH)
+Manhexald236192617?1122h111112mannose
+Man-olhexol18367h1122h211112mannitol
+Man1Nhexald73?1122h_1*N1111121-amino-1-deoxymannose
+ManAhexald2410?1122A111110mannuronic acid
+ManNhexald587131?1122h_2*N1111122-amino-2-deoxymannose
+ManN3NAhexald10333?1122A_2*N_3*N1111102,3-diamino-2,3-dideoxymannuronic acid
+ManNAhexald15158?1122A_2*N1111102-amino-2-deoxymannuronic acid
+Marmva*lip32*OCCCCCCCCCCCCCCCCC/3=O02222222222222223margaric acid (heptadecanoic acid)
+Memva*alk1185522*OC3methanol
+Monmva*lip135*OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222222222223montanic acid (octacosanoic acid)
+mPmN2nsu*pep74A2ddd1A_2*N_6*N0122210meso-diaminopimelic acid (HOOC-(S)CH(NH2)-CH2-CH2-CH2-(R)CH(NH2)-COOH)
+Murnon*ald1814?2122h_2*N_3*OC^RCO/4=O/3C1111121032-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose (muramic acid)
+Mycolicnsu*lip20310*1OCC^XC^XCCCCCCCCCCCCCCC/5O*3/4CCCCCCCCCCCCCC/3=O01122222222222222322222222222223corynomycolic acid (C32)
+myoInonsu*ino550181111212111111myo-inositol (cis-1,2,3,5-trans-4,6-cyclohexanehexol) [2OH ax, other OH eq]
+Myrmva*lip268120*OCCCCCCCCCCCCCC/3=O02222222222223myristic acid (tetradecanoic acid)
+Myricetinnsu* 11@myricetin~00000101000100013,5,7,3',4',5'-hexahydroxyflavone
+Neunon*ket407115A?d21122h_5*N002111112neuraminic acid (5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic)
+NH2mva* 14258*N ammonia
+nucAnsu* 6612a222h-1b_1-4_1*(NC^ZCC^ENC^ZN$3/4N^ZC$2)/5N_5*OPO/3O/3=O1111210001adenosine (A, bDRibf + 6-aminopurine)
+nucCnsu* 217a222h-1b_1-4_1*NCN=^ECC=^ZC$2/5N/3=O_5*OPO/3O/3=O111120011cytidine (C, bDRibf + 4-amino-1H-pyrimidine-2-one)
+nucdAnsu* 183ad22h-1b_1-4_1*(NC^ZCC^ENC^ZN$3/4N^ZC$2)/5N_5*OPO/3O/3=O1211210001deoxyadenosine (dA, bD2dRibf + 6-aminopurine)
+nucdGnsu* 93ad22h-1b_1-4_1*(NC^ZCN^ZC$2)/4CNC=^ZN$3/10N/8=O_5*OPO/3O/3=O1211200001deoxyguanosine (dG, bD2dRibf + 2-amino-6-hydroxypurine)
+nucdTnsu* 189ad22h-1b_1-4_1*NCNCC=^ZC$2/6C/5=O/3=O_5*OPO/3O/3=O1211200013deoxythymidine (dT, bD2dRibf + 5-methyluracil)
+nucdUnsu* 132ad22h-1b_1-4_1*NCNCC=^ZC$2/5=O/3=O_5*OPO/3O/3=O121120011deoxyuridine (dU, bD2dRibf + 2-oxy-4-oxy-pyrimidine)
+nucGnsu* 416a222h-1b_1-4_1*(NC^ZCN^ZC$2)/4CNC=^ZN$3/10N/8=O_5*OPO/3O/3=O1111200001guanosine (G, bDRibf + 2-amino-6-hydroxypurine)
+nucTnsu* 174a222h-1b_1-4_1*NCNCC=^ZC$2/6C/5=O/3=O_5*OPO/3O/3=O1111200113thymidine (T, bDRibf + 5-methyluracil)
+nucUnsu* 4719a222h-1b_1-4_1*NCNCC=^ZC$2/5=O/3=O_5*OPO/3O/3=O111120011uridine (U, bDRibf + 2-oxy-4-oxy-pyrimidine)
+Ocmva*alk208*OCCCCCCCC22222223octanol
+Ocomva*lip5213*OCCCCCCCC/3=O02222223octanoic acid
+Olemva*lip4413*OCCCCCCCCC=^ZCCCCCCCCC/3=O022222221122222223oleic acid (cis-9-octadecenoic acid)
+Ornnsupep41A2ddh_2*N_5*N01222ornithine
+Orsnsu* 1110@orsellinic~001010032,4-dihydroxy-6-methylbenzoic acid (orsellinic acid), carboxyl group is C7
+Pnsu* 55751447*OPO*/3O/3=O phosphoric acid
+Pammva*lip26998*OCCCCCCCCCCCCCCCC/3=O0222222222222223palmitic acid (hexadecanoic acid)
+Parhex*ald7915?2d22m1121133,6-dideoxy-D-ribo-hexose (paratose), 3dQui=3,6dAll
+Pau4CHeoctald2510?d112m_4*1CC/2O*2121013132,6-dideoxy-4C-(1-hydroxyethyl)-lyxo-hexose (paulomycose, default: L, stereo at C7 unknown)
+pCoumnsu* 66*9OCC=^EC(CC^ZCC^ECC^Z$4)/9O*4/3=O011011110p-coumaric acid (E-3-(4-hydroxyphenyl)-2-propenoic)
+PEPnsu*pep33AC_2*N superclass: aminoacid
+Phensupep53A2_2*N_2*C(CC^ZCC^ZCC^Z$3)012011111phenylalanine
+PhNO2mva* 33*O(CC^ZCC^ZCC^Z$3)/7N=O*4/7O011011@paranitrolhenol~
+phSphnsu*sph139*1OCC^SC^SC^RCCCCCCCCCC/6O*4/5O*3/4N*2 any phytosphingosine (2S,3S,4R-2-amino-1,3,4-triol)
+phSphC18nsu*sph9844*1OCC^SC^SC^RCCCCCCCCCCCCCC/6O*4/5O*3/4N*2211122222222222223phytosphingosine
+phSphC20nsu*sph175*1OCC^SC^SC^RCCCCCCCCCCCCCCCC/6O*4/5O*3/4N*221112222222222222223icosaphytosphingosine
+Phthimva*lip72*OCC=^XCC^XCCCCCCCCCCCCCCCCCCCC/8C/6C/4C/3=O001121222222222222222223333+C27-phthienoic acid (2,4,6-trimethyl-tetracos-2-enoic acid)
+Ppmva* 5013*OCCC/3=O023propanoic acid
+Prmva*alk4827*OCCC223propanol
+Protopanaxadiol20snsu* 166@20S-protopanaxadiol~22101220102110221330322103333320S-protopanaxadiol (dammar-24-en-3b,12b,20S-triol), atom numbering: https://www.researchgate.net/publication/236080758/figure/fig1/AS:601683658829855@1520463971501/The-structure-and-atom-numbering-of-M1.png
+Protopanaxatriol20snsu* 55@20S-protopanaxatriol~22101120102110221330322103333320S-protopanaxatriol (dammar-24-en-3b,6a,12b,20S-tetrol)
+Psenon*ket12463A?d22111m_5*N_7*N002111113pseudaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-manno-non-2-ulosonic)
+Pyrnsu 339167*OC^XO*/3CO/6=O/3C003pyruvic acetal (2-oxopropanoic acid acetal)
+Quercetinnsu* 10625@quercetin~00000101000100113,5,7,3',4'-pentahydroxyflavone
+Quihexald73?2122m1111136-deoxyglucose (quinovose)
+Qui1N4Nhexald11?2122m_1*N_4*N1111131,4-diamino-1,4,6-trideoxyglucopyranose
+Qui3Nhexald8456?2122m_3*N1111133-amino-3,6-dideoxyglucose
+Qui4Nhexald12159?2122m_4*N1111134-amino-4,6-dideoxyglucose (viosamine if D)
+QuiNhexald294138?2122m_2*N1111132-amino-2,6-dideoxyglucose
+QuiN4Nhexald17495?2122m_2*N_4*N1111132,4-diamino-2,4,6-trideoxyglucose (bacillosamine)