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)
+10b1C19mvalip44*OCCCCCCCCCC^XCCCCCCCC/12C/3=O022222222122222223310-methyl-octadecanoic (tuberculostearic) acid - C19:0
+15,16HOPamnsulip44*1OCCCCCCCCCCCCCCC^XCO*16/17O*15/3=O022222222222221215,16-dihydroxy-hexadecanoic acid - C16:0
+16HOPhytnsu*alk63*1OCCC^XCCCC^XCCCC^XCCCC^XC/5C/9C/13C/17C/18O*16221222122212221233333,7,11,15-tetramethyl-hexadecan-1,16-diol, E20, R,S-configurations unknown
+17HOOlensulip33*1OCCCCCCCCC=^ZCCCCCCCC^XC/19O*17/3=O02222222112222221317-hydroxy-cis-9-octadecenoic acid - C18:1{9Z}
+1dAlt-olhexol55m1222h3111121-deoxyaltritol
+1dEry-oltetol1515m22h31121-deoxyerythritol
+1dEry3N-oltetol11m22h_3*N31123-amino-1,3-dideoxyerythritol
+1dGlchexald11d2122h2111121-deoxy-glucose (the same as linear form of 1,5-anhGlc-ol, which still has 1-5 cycle)
+2,15,16HOPamnsulip44*1OCC^XCCCCCCCCCCCCC^XCO*16/17O*15/4O*2/3=O01222222222222122,15,16-trihydroxy-hexadecanoic acid - C16:0, R/S-configuration at C15 is unknown
+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 - C14:0, R/S-configuration at C3 is unknown
+2,4HO3,3,4MePro-5-oxonsu 11AxCXA-2x_2-5*N*_3*C_3*C_4*C000003332,4-dihydroxy-3,3,4-trimethyl-5-oxoproline
+2,4HOButnsulip13751*1OCC^XCCO*4/4O*2/3=O01222,4-dihydroxybutanoic acid
+2,5anhManhexald1818A1122h_2-51111122,5-anhydromannose
+2,5anhMan-olhexol2424h1122h_2-52111122,5-anhydromannitol
+2,5anhTalhexald1111A1112h_2-51111122,5-anhydrotalose
+2,5anhTal-olhexol44h1112h_2-52111122,5-anhydrotalitol
+2,6daraHexhexald10877?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
+2,6dlyxHexhexald3028?d112m1211132,6-dideoxy-lyxo-hexose (diginose, 2d-Fuc = 2d6d-Tal), D-form: oliose
+2,6dlyxHex3Nhexald11?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
+27HOMonnsulip6864*1OCCCCCCCCCCCCCCCCCCCCCCCCCCC^XC/29O*27/3=O022222222222222222222222221327-hydroxy-octacosanoic acid - C28:0
+27oxoMonnsu*lip33*OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/29=O/3=O022222222222222222222222220327-oxo-octacosanoic acid - C28:0
+2b14b1C22={2}mvalip22*OCC=^XCC^XCCCCCCCCCCCCCCCC/6C/4C/3=O0011222222222222222333may be R or S on C4
+2b14b1C22={t2}mvalip11*OCC=^ECC^XCCCCCCCCCCCCCCCC/6C/4C/3=O0011222222222222222333may be R or S on C4
+2b14b1Pammva*lip94*OCC^XCC^XCCCCCCCCCC/6C/4C/3=O01212222222223332,4-dimethyl-tetradecanoic acid - C16:0, R,S-configurations unknown
+2daraHexhexald33?d122h1211122-deoxy-arabino-hexose (2d-Glc, 2d-Man)
+2daraHexAhexald77?d122A1211102-deoxy-arabino-hexuronic acid (2-deoxyglucuronic acid)
+2dmyoIno3Nnsuino13131d1212_3*N1211112,3-dideoxy-3-amino-myo-inositol
+2HOaiHxonsulip33*1OCC^XC^XCC/5C/4O*2/3=O0112332-hydroxy-3-methyl-pentanoic acid - C6:0, R/S-configuratio at C3 is unknown
+2HOBehnsulip11*1OCC^XCCCCCCCCCCCCCCCCCCCC/4O*2/3=O01222222222222222222232-hydroxy-docosanoic acid - C22:0
+2HOButnsulip55*1OCC^XCC/4O*2/3=O01232-hydroxybutanoic acid
+2HOC16={t3}nsulip22*1OC^XCC=^ECCCCCCCCCCCCC/4O*2/3=O01112222222222232-hydroxy-trans-3-hexadecenoic acid - C16:1{3E}
+2HOC18={t3}nsulip1717*1OCC^XC=^ECCCCCCCCCCCCCCC/4O*2/3=O0111222222222222232-hydroxy-trans-3-octadecenoic acid - C18:1{3E}
+2HOGltnsu 77*1OCC^XCCCO*5/7=O/4O*2/3=O012202-hydroxyglutaric acid
+2HOLaunsulip4234*1OCC^XCCCCCCCCCC/4O*2/3=O0122222222232-hydroxy-dodecanoic acid - C12:0
+2HOLignsulip1616*1OCC^XCCCCCCCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222222222232-hydroxy-tetracosanoic acid - C24:0
+2HOMyrnsulip3434*1OCC^XCCCCCCCCCCCC/4O*2/3=O012222222222232-hydroxy-tetradecanoic acid - C14:0
+2HOPamnsulip77*1OCC^XCCCCCCCCCCCCCC/4O*2/3=O01222222222222232-hydroxy-hexadecanoic acid - C16:0
+2HOStensulip1212*1OCC^XCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222232-hydroxy-octadecanoic acid - C18:0
+2HOSucnsu 1918*1OCC^XCCO*4/6=O/4O*2/3=O01202-hydroxysuccinic (malic) acid
+2NBznsu* 44*7OC(CC^ECC^ZCC^Z$4)/5N*2/3=O00111102-aminobenzoic (anthranilic) acid
+3,4,8HOPhetnsu* 6565*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
+3,4HOiC15nsulip11*1OCCC^XC^XCCCCCCCCCC/15C/6O*4/5O*3/3=O0211222222221333,4-dihydroxy-iso-pentadecanoic acid, C15:0, R/S-configuration at C4 is unknown
+3,5HOHexnsu*lip22*1OCCC^XCC^XC/7O*5/5O*3/3=O021213general 3,5-dihydroxyhexanoic acid
+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
+3dgroPen-ulosonicpenket11A?d2h002123-deoxy-glycero-pent-2-ulosonic acid
+3dgroTet-onictetopn2619A2dh01223-deoxy-glycero-tetronic 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 1313AaXdA-2x_2-5*N*_2*C_3*C00020333-hydroxy-2,3-dimethyl-5-oxoproline (RR, SS, RS, SR = unknown)
+3HO3MeGltnsu 3232*1OCCC^XCCO*5/7=O/5C/5O*3/3=O0202033-hydroxy-3-methylglutaric acid
+3HOAchnsulip2815*1OCCC^XCCCCCCCCCCCCCCCCC/5O*3/3=O021222222222222222233-hydroxy-arachidic (icosanoic) acid - C20:0
+3HOBehnsulip21*1OCCC^XCCCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222222233-hydroxy-docosanoic acid - C22:0
+3HOButnsulip357320*1OCCC^XC/5O*3/3=O02133-hydroxybutanoic acid
+3HOBznsu* 33*7OC(CC^ECC^ZCC^Z$4)/6O*3/3=O01011103-hydroxybenzoic (m-hydroxybenzoic) acid
+3HOC13nsulip206*1OCCC^XCCCCCCCCCC/5O*3/3=O02122222222233-hydroxy-tridecanoic acid, C13:0
+3HOC14={c4}nsulip66*1OCCC^XC=^XCCCCCCCCCC/5O*3/3=O021222222222233-hydroxy-tetradec-4Z-enoic acid - C14:1
+3HOC15nsulip88*1OCCC^XCCCCCCCCCCCC/5O*3/3=O0212222222222233-hydroxy-pentadecanoic acid, C15:0
+3HOCrtnsulip77*1OCCC^XCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O021222222222222222222222233-hydroxy-hexacosanoic acid - C26:0
+3HODconsulip17689*1OCCC^XCCCCCCC/5O*3/3=O02122222233-hydroxy-decanoic acid - C10:0
+3HOHxonsulip44*1OCCC^XCCC/5O*3/3=O0212233-hydroxy-hexanoic acid - C6:0
+3HOiC13nsulip2010*1OCCC^XCCCCCCCCC/13C/5O*3/3=O02122222221333-hydroxy-iso-tridecanoic acid, C13:0
+3HOiC15nsulip1111*1OCCC^XCCCCCCCCCCC/15C/5O*3/3=O0212222222221333-hydroxy-iso-pentadecanoic acid, C15:0
+3HOiMarnsulip3820*1OCCC^XCCCCCCCCCCCCCC/17C/5O*3/3=O021222222222221333-hydroxy-iso-heptadecanoic acid, C17:0
+3HOiMyrnsulip84*1OCCC^XCCCCCCCCCC/14C/5O*3/3=O021222222221333-hydroxy-iso-tetradecanoic acid - C14:0
+3HOiVlnsu*lip33*1OCCCC/5C/5O*3/3=O020333-hydroxy-isovaleric acid - C5:0
+3HOLaunsulip302135*1OCCC^XCCCCCCCCC/5O*3/3=O0212222222233-hydroxy-dodecanoic acid - C12:0
+3HOMarnsulip53*1OCCC^XCCCCCCCCCCCCCC/5O*3/3=O021222222222222233-hydroxy-heptadecanoic acid, C17:0
+3HOMonnsulip77*1OCCC^XCCCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222222222222233-hydroxy-octacosanoic acid - C28:0
+3HOMyrnsulip1702567*1OCCC^XCCCCCCCCCCC/5O*3/3=O021222222222233-hydroxy-tetradecanoic acid - C14:0
+3HOOconsulip55*1OCCC^XCCCCC/5O*3/3=O021222233-hydroxy-octanoic acid - C8:0
+3HOPamnsulip189124*1OCCC^XCCCCCCCCCCCCC/5O*3/3=O02122222222222233-hydroxy-hexadecanoic acid - C16:0
+3HOPronsu*lip86*1OCCCO*3/3=O0223-hydroxypropanoic (beta-lactic) acid
+3HOStensulip17385*1OCCC^XCCCCCCCCCCCCCCC/5O*3/3=O0212222222222222233-hydroxy-octadecanoic acid - C18:0
+3oxoMyrmva*lip2316*OCCCCCCCCCCCCCC/5=O/3=O020222222222233-oxo-tetradecanoic acid - C14:0
+4,6dlyxHexhexald11?11d2m1112134,6-dideoxy-lyxo-hexose
+4,6dxylHexhexald11?21d2m1112134,6-dideoxy-xylo-hexose (3-O-methyl derivative = halcose)
+4,6dxylHex3Nhexald11?21d2m_3*N1112133-amino-3,4,6-trideoxy-xylo-hexose
+4,8anhKdooct*ket55A?d1122h_4-8002111124,8-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
+4daraHexhexald1611?12d2h1112124-deoxy-arabino-hexose
+4dEry-oltetol44h22m21134-deoxyerythritol (alias for 1-deoxyerythritol ?)
+4deryHex4enhexald22?22eEh1111024-deoxy-erythro-hex-4-enose
+4deryHex4enAhexald66?22eEA1111004-deoxy-erythro-hex-4-enuronic acid
+4deryHex4enNAhexald22?22eEA_2*N1111002-amino-2,4-dideoxy-erythro-hex-4-enuronic acid
+4dThre-oltetol44h12m21134-deoxythreitol (alias for 1-deoxytreitol ?)
+4dthrHex4enhexald44?12eEh1111024-deoxy-threo-hex-4-enose
+4dthrHex4enAhexald8179?12eEA1111004-deoxy-threo-hex-4-enuronic acid
+4dthrHex4enNAhexald1515?12eEA_2*N1111002-amino-2,4-dideoxy-threo-hex-4-enuronic acid
+4dxylHexhexald44?21d2h1112124-deoxy-xylo-hexose
+4eLegnon*ket1010A?d11122m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-talo-non-2-ulosonic (4-epilegionaminic) acid
+4HOButnsu*lip3333*1OCCCCO*4/3=O02224-hydroxybutanoic acid
+4HOBznsu* 1717*7OC(CC^ZCC^ECC^Z$4)/7O*4/3=O01101104-hydroxybenzoic (p-hydroxybenzoic) acid
+4NBznsu* 33*7OC(CC^ZCC^ECC^Z$4)/7N*4/3=O01101104-aminobenzoic acid
+5HOiHxonsulip33*1OCC^XCCC/7O*5/5C/3=O0221235-hydroxy-isohexanoic acid - C6:0
+6dAllhexald1212?2222m1111136-deoxyallose
+6dAlthexald5026?1222m1111136-deoxyaltrose
+6dAltN4Nhexald99?1222m_2*N_4*N1111132,4-diamino-2,4,6-trideoxyaltrose
+6daltHephepald66?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
+6dgalHephepald64?2112dh11111226-deoxy-galacto-heptose
+6dGulhexald1210?2212m1111136-deoxygulose
+6dGul3CMehepald11?2612m_3*C11011336-deoxy-3-C-methylgulose (virenose)
+6dgulHephepald139?2212dh11111226-deoxy-gulo-heptose
+6didoHephepald22?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
+6dmanHephepald4944?1122dh11111226-deoxy-manno-heptose
+6dribHex-3-ulohexald22?2U22m1101136-deoxy-ribo-hexos-3-ulose
+6dTalhexald325264?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*ket11A?d21112m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-altro-non-2-ulosonic (8-epiacinetaminic) acid
+8eLegnon*ket5554A?d21121m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-L-glycero-D-galacto-non-2-ulosonic (8-epilegionaminic) acid
+8ePsenon*ket11A?d22112m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-manno-non-2-ulosonic (8-epipseudaminic) acid
+9b1Achmvalip11*OCCCCCCCCC^XCCCCCCCCCC/11C/3=O022222221222222222339-methyl-nonadecanoic acid - C20:0
+9b1SphdC19nsu*sph2727*1OCC^SC^RC=^ECCCC=^ECCCCCCCCCC/11C/5O*3/4N*22111122102222222233(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C18
+9HObDconsulip1111*1OCCCCCCCC^XC/11O*9/?C0????????2branched 9-hydroxy-decanoic acid - C10:0, branching position unknown. WURCS is for ?-methyl-8-hydroxy-nonanoic acid
+9HONnonsu*lip11*1OCCCCCCCCC/5O*9/3=O0222222229-hydroxy-nonanoic acid - C9:0
+Abehex*ald150132?2d12m1121133,6-dideoxy-D-xylo-hexose (abequose), 3dFuc=3,6dGul
+Abunsupep11A2dm_2*N0123aminobutyric acid
+Acmva* 168168084*OCC/3=O03acetic acid - C2:0
+AceAhex*ald33?161m_3*CO/2=O1101303C-carboxy-5-deoxy-L-xylofuranose (aceric acid)
+Achmva*lip77*OCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222223arachidic (icosanoic) acid - C20:0
+Acinon*ket33A?d21111m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-altro-non-2-ulosonic (acinetaminic) acid
+Aco3Nhex*ald63?d121m_3*N1211133-amino-2,3,6-trideoxy-L-xylo-hexose (acosamine)
+Aepnsu* 97*1OPCCN*3/3O/3=O0222-amino-ethylphosphonic acid
+aiC15mvalip43*OCCCCCCCCCCCC^XCC/14C/3=O022222222221233anteiso-pentadecanoic acid, C15:0
+aiMarmvalip31*OCCCCCCCCCCCCCCC^XCC/16C/3=O02222222222221233anteiso-heptadecanoic acid, C17:0
+aiVlmvalip2320*OCC^XCC/3=O/4C00233anteisovaleric (2-methyl-butyric) acid - C5:0
+Alansupep862629A2m_2*N013alanine
+ALKmva*alk1411@ALKYL superclass: alcohol residue (alkyl)
+AllNhexald86?2222h_2*N1111122-amino-2-deoxyallose
+Allylmva* 7373*OCC=C212allyl alcohol
+aLnnmva*lip32*OCCCCCCCCC=^XCCC=^XCCC=^XCCC/3=O/022222221121121123(9,12,15)-linolenic (9,12,15-octadecatrienoic) acid - C18:3{9,12,15}
+Althexald1616?1222h111112altrose
+AltAhexald77?1222A111110altruronic acid
+AltNAhexald2720?1222A_2*N1111102-amino-2-deoxyaltruronic acid
+Ammva* 186173*OCC/3=N13acetimidic acid (HO-C(=NH)-CH3)
+Angmva*lip1111*OCC=^ZCC/4C/3=O00133(Z)-2-methylbut-2-enoic (angelic) acid - C5:1
+ANY * 193108 superclass: any residue
+Apipenald103101?26h_3*CO110223-C-(Hydroxymethyl)-erythro-tetrose (apiose)
+Api-olpenol11h26h_3*CO210223-C-(Hydroxymethyl)-erythro-tetrol (apiol)
+Arapenald20101249?122h11112arabinose
+Ara-olpenol5050h122h21112arabinitol
+Ara4Npenald429342?122h_4*N111124-amino-4-deoxyarabinose
+Argnsupep21A2dddh_2*N_5*1NCN*2/3=N0122201arginine
+Aschex*ald1312?2d11m1121133,6-dideoxy-L-arabino-hexose (ascarilose), 3dRha=3,6dAlt
+Asnnsupep137136A2dA_2*N_4*N0120asparagine
+Aspnsupep1919A2dA_2*N0120aspartic acid
+aThrnsupep6161A22m_2*N0133allothreonine (2S,3S)
+Behmva*lip33*OCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222223behenic (docosanoic) acid - C22:0
+Bnmva* 1919*OC(CC^ZCC^ZCC^Z$4)0111112benzoic alcohol
+bResnsu* 33*7OC(CC^ECC^ECC^Z$4)/7O*4/5O*2/3=O00101102,4-dihydroxybenzoic (beta-resorcyclic) acid
+Bumva*alk33*OCCCC2223butanol
+Butmva*lip33*OCCCC/3=O0223butyric acid - C4:0 (former Br_)
+Bzmva* 7569*OC(CC^ZCC^ZCC^Z$4)/3=O0111110benzoic acid
+C12={5}mva*lip88*OCCCCC=^XCCCCCCC/3=O022211222223dodec-5-enoic acid - C12:1
+C12={6}mva*lip11*OCCCCCC=^XCCCCCC/3=O022221122223dodec-6-enoic acid - C12:1
+C12={t6}mva*lip33*OCCCCCC=^ECCCCCC/3=O022221122223dodec-6E-enoic acid - C12:1
+C13={6}mva*lip11*OCCCCCC=^XCCCCCCC/3=O0222211222223tridec-6-enoic acid - C13:1
+C13mva*lip11*OCCCCCCCCCCCCC/3=O0222222222223tridecanoic acid, C13:0
+C14={5}mva*lip22*OCCCCC=^XCCCCCCCCC/3=O02221122222223tetradec-5-enoic acid - C14:1
+C14={6}mva*lip11*OCCCCCC=^XCCCCCCCC/3=O02222112222223tetradec-6-enoic acid - C14:1
+C14={7}mva*lip55*OCCCCCCC=^XCCCCCCC/3=O02222211222223tetradec-7-enoic acid - C14:1
+C14={8}mva*lip11*OCCCCCCCC=^XCCCCCC/3=O02222221122223tetradec-8-enoic acid - C14:1
+C15={5}mva*lip22*OCCCCC=^XCCCCCCCCCC/3=O022211222222223pentadec-5-enoic acid - C15:1{5}
+C15={6}mva*lip11*OCCCCCC=^XCCCCCCCCC/3=O022221122222223pentadec-6-enoic acid - C15:1{6}
+C15mva*lip128*OCCCCCCCCCCCCCCC/3=O022222222222223pentadecanoic acid, C15:0
+C16={11}mva*lip44*OCCCCCCCCCCC=^XCCCCC/3=O0222222222112223hexadec-11-enoic acid - C16:1{11}
+C16={5}mva*lip22*OCCCCC=^XCCCCCCCCCCC/3=O0222112222222223hexadec-5-enoic acid - C16:1{5}
+C16={6}mva*lip11*OCCCCCC=^XCCCCCCCCCC/3=O0222211222222223hexadec-6-enoic acid - C16:1{6}
+C16={?,?,?}mva*lip22@C16{=,=,=}0??????????????3hexadecatrienoic acid, positions and E,Z-configurations unknown - C16:3
+C16={?,?}mva*lip55@C16{=,=}0??????????????3hexadecadienoic acid, positions and E,Z-configurations unknown - C16:2
+C16={c7,c10,c13}mva*lip22*OCCCCCCC=^ZCCC=^ZCCC=^ZCCC/3=O0222221121121123cis-7,10,13-hexadecatrienoic acid - C16:3{7Z,10Z,13Z}
+C16={t2,c9}mva*lip44*OCC=^ECCCCCCC=^ZCCCCCCC/3=O0112222211222223trans-2-cis-9-hexadecadienoic acid - C16:2{2E,9Z}
+C16={t2,t4,c9}mva*lip22*OCC=^ECC=^ECCCCC=^ZCCCCCCC/3=O0111122211222223trans-2,4-cis-9-hexadecatrienoic acid - C16:3{2E,4E,9Z}
+C17={5}mva*lip22*OCCCCC=^XCCCCCCCCCCCC/3=O02221122222222223heptadec-5-enoic acid - C17:1{5}
+C17={6}mva*lip11*OCCCCCC=^XCCCCCCCCCCC/3=O02222112222222223heptadec-6-enoic acid - C17:1{6}
+C18={5}mva*lip22*OCCCCC=^XCCCCCCCCCCCCC/3=O022211222222222223octadec-5-enoic acid - C18:1{5}
+C18={6}mva*lip11*OCCCCCC=^XCCCCCCCCCCCC/3=O022221122222222223octadec-6-enoic acid - C18:1{6}
+C18={?,?,?,?}mva*lip11@C18{=,=,=,=}0????????????????3octadecatetraenoic acid, positions and E,Z-configurations unknown - C18:4
+C18={?}mva*lip1515@C18{=}0????????????????3octadecenoic acid, position and E,Z-configuration unknown - C18:1
+C18={t2,t4,t6,c11}mva*lip66*OCC=^ECC=^ECC=^ECCCCC=^ZCCCCCCC/3=O/0111111222112222232,4,6-trans-11-cis-octadecatetraenoic acid - C18:4{2E,4E,6E,11Z}
+C18={t5,t8,t11,t14}mva*lip11*OCCCCC=^ECCC=^ECCC=^ECCC=^ECCCC/3=O/022211211211211223trans-5,8,11,14-octadecatetraenoic acid - C18:4{5E,8E,11E,14E}
+C18={t9}mva*lip1313*OCCCCCCCCC=^ECCCCCCCCC/3=O/022222221122222223trans-9-octadecenoic acid - C18:1{9E}
+C19c{9,11}mva*lip11*OCCCCCCCCCCCCCCCCCC/12C$11/3=O02222222121222222239,11-cyclo-nonadecanoic acid - C19:c{9}
+C23={c14}mva*lip11*OCCCCCCCCCCCCCC=^ZCCCCCCCCC/3=O02222222222221122222223cis-14-tricosenoic acid - C23:1{14Z}
+C25={c16}mva*lip11*OCCCCCCCCCCCCCCCC=^ZCCCCCCCCC/3=O0222222222222221122222223cis-16-pentacosenoic acid - C25:1{16Z}
+Cafnsu* 103103*9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8O*3/3=O010011110caffeic (E-3-(3,4-dihydroxyphenyl)-2-propenoic) acid
+Caryophyllosedod*ald1814?2d21d222m_4*1C^RC/2O*21120121113133,6,10-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-erythro-D-gulo-decose
+Caryosenon*ald255?1d61215m1120111034,8-cyclo-3,9-dideoxy-L-erythro-D-ido-nonose
+cdPammva*lip44*OCCCCCCCCC=^ZCCCCCCC/3=O0222222211222223cis-palmitoleic (hexadecenoic) acid - C16:1{9Z}
+CERnsu* 106106@CERAMIDE superclass: ceramide (N-acylated sphyngoid)
+CetEtNnsu 99*1OCCNC^XCO*3/7=O/6C220132-(1-carboxyethylamino)ethanol [N-(2-hydroxyethyl)alanine]
+chiroInonsuino44112122111111chyro-inositol (D-form: cis-1,2,4-trans-3,5,6-cyclohexanehexol)
+Chonsu* 248195*OCCNC/5C/5C22?2-(trimethylammonio)ethanol (choline)
+Cinnsu* 1616*OCC=^EC(CC^ZCC^ZCC^Z$4)/3=O011111110cinnamic (E-3-phenylprop-2-enoic) acid
+Cmmva* 168145*NCO/3=O carbamic acid (H2N-COOH) (WURCS is given for N-linked Cm)
+Colhex*ald13691?1d21m1121133,6-dideoxy-L-xylo-hexose (colitose), 3dFuc=3,6dGul
+Crtmva*lip22*OCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222223cerotic (hexacosanoic) acid - C26:0
+cVacmva*lip1616*OCCCCCCCCCCC=^ZCCCCCCC/3=O022222222211222223cis-vaccenic (cis-11-octadecenoic) acid - C18:1{11Z}
+Cysnsupep77A2h_2*N_3*S012cysteine
+Dcemva*lip1313*OCCCCCCCCC=C0222222212decenoic acid - C10:1{9}
+Dcomva*lip3628*OCCCCCCCCCC/3=O0222222223decanoic (capric) acid - C10:0
+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*ald44?12222h1111112D-glycero-D-altro-heptose
+DDgalHephep*ald2112?21122h1111112D-glycero-D-galacto-heptose
+DDglcHephep*ald33?21222h1111112D-glycero-D-gluco-heptose
+DDHephep*sug109 alias: DD-heptose
+DDmanHephep*ald959642?11222h1111112D-glycero-D-manno-heptose
+Decmva*alk1010*OCCCCCCCCCC2222222223decanol
+Dighexald230127?d222m1211132,6-dideoxy-ribo-hexose (digitoxose, 2d6d-All = 2d6d-Alt), 3OMe-derivative = cymarose
+Dig3CMehepald11?d622m_3*C12011332,6-dideoxy-3-C-methyl-ribohexose (3-C-methyl-digitoxose)
+DL3,9dgalNon5N7N-ulosonicnon*ket2020A?d12212m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-galacto-non-2-ulosonic acid
+DLglcHephep*ald99?12112h1111112D-glycero-L-gluco-heptose
+Dodmva*alk99*OCCCCCCCCCCCC222222222223dodecanol
+dPammva*lip1111*OCCCCCCCCC=^XCCCCCCC/3=O0222222211222123palmitoleic (hexadecenoic) acid - C16:1{9}, E,Z-configuration unknown
+Erwiniosedec*ald44?2d21d2m_4*1C^RC/2O*211211213133,6,8-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-gulo-octose (can form 1,1'-pyranose)
+Erytetald11?22h1112erythrose
+Ery-oltetol4343h22h2112erythritol
+Ery-onictetopn1111A22h0112erythronic acid
+Etmva*alk1212*OCC23ethanol
+EtNnsu* 15871189*1OCCN*2222-aminoethanol (ethanolamine)
+Etgdi*ol1917hh22ethylene glycol
+Fernsu* 205166*9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8OC/3=O0100111103ferulic (E-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic) acid
+Fomva* 193149*OC=O formic acid - C1:0
+Fruhexket408269h?122h201112arabino-hex-2-ulose (fructose)
+Fuchexald16971384?2112m1111136-deoxygalactose (fucose)
+Fuc-olhexol33h2112m2111136-deoxy-D-galactitol (D-fucitol), 1-deoxy-D-galactitol (L-fucitol)
+Fuc1N-olhexol11h2112m_1*N2111131-amino-1,6-dideoxy-D-galactitol
+Fuc3Nhexald209181?2112m_3*N1111133-amino-3,6-dideoxygalactose
+Fuc4Nhexald5555?2112m_4*N1111134-amino-4,6-dideoxygalactose (thomosamine if D)
+FucNhexald528474?2112m_2*N1111132-amino-2,6-dideoxygalactose
+FucN-olhexol1212h2112m_2*N2111132-amino-2,6-dideoxy-D-galactitol if (D), 5-amino-1,5-dideoxy-D-galactitol if (L)
+FucN4Nhexald175156?2112m_2*N_4*N1111132,4-diamino-2,4,6-trideoxygalactose
+Galhexald106517608?2112h111112galactose
+Gal-olhexol8787h2112h211112galactitol
+Gal3Fhexald22?2112h_3*F1111123-deoxy-3-fluorogalactose
+Gal3Nhexald11?2112h_3*N1111123-amino-3-deoxygalactose
+GalAhexald16821267?2112A111110galacturonic acid
+GalA-olhexol11h2112A211110galactitol uronic acid (same as galactonic acid with inverted D
+GalNhexald29272538?2112h_2*N1111122-amino-2-deoxygalactose
+GalN-olhexol99h2112h_2*N2111122-amino-2-deoxygalactitol
+GalN3N4NAhexald1010?2112A_2*N_3*N_4*N1111102,3,4-triamino-2,3,4-trideoxygalacturonic acid
+GalN3NAhexald2524?2112A_2*N_3*N1111102,3-diamino-2,3-dideoxygalacturonic acid
+GalNAhexald359272?2112A_2*N1111102-amino-2-deoxygalacturonic acid
+Gallicnsu* 3219*7OC(CC^ECC^ZCC^E$4)/8O*5/7O*4/6O*3/3=O01000103,4,5-trihydroxybenzoic (gallic) acid
+Gcnsu*lip1717*1OCCO*2/3=O02glycolic (2-hydroxyacetic) acid
+Gentnsu* 66*7OC(CC^ECC^ECC^Z$4)/8O*5/5O*2/3=O00110102,5-dihydroxybenzoic (gentisic) acid
+Glchexald1837211552?2122h111112glucose
+Glc-olhexol129129h2122h211112glucitol
+Glc1Nhexald1111?2122h_1*N1111121-amino-1-deoxyglucose
+Glc3Nhexald33?2122h_3*N1111123-amino-3-deoxy-glucose (kanosamine when D)
+Glc3N6Nhexald11?2122h_3*N_6*N1111123,6-diamino-3,6-dideoxyglucose
+Glc3NAhexald1610?2122A_3*N1111103-amino-3-deoxyglucuronic acid
+Glc6Nhexald11?2122h_6*N1111126-amino-6-deoxyglucose
+GlcAhexald24772156?2122A111110glucuronic acid
+GlcNhexald95697735?2122h_2*N1111122-amino-2-deoxyglucose
+GlcN-olhexol108108h2122h_2*N2111122-amino-2-deoxyglucitol
+GlcN-onichexopn2626A2122h_2*N0111122-amino-2-deoxygluconic acid
+GlcN1N-olhexol22h2122h_1*N_2*N2111121,2-diamino-1,2-dideoxyglucitol
+GlcN3Nhexald113110?2122h_2*N_3*N1111122,3-diamino-2,3-dideoxyglucose
+GlcN3NAhexald134119?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
+GlcNAhexald5650?2122A_2*N1111102-amino-2-deoxyglucuronic acid
+Glnnsupep66A2ddA_2*N_5*N01220glutamine
+Glunsupep174136A2ddA_2*N01220glutamic acid
+Glynsu*pep12499Ah_2*N02glycine
+Glycyrrheticnsu* 3232@glycerrhetic~221012201001002201202223333330enoxolone, glycyrrhetic (glycyrrhetinic) acid (http://en.wikipedia.org/wiki/Glycyrrhetinic_acid)
+Grotriol1073865h2h212glycerol (always change -3)LGro to -1)DGro !). L-Gro = sn-Gro
+Gro-altriopn1818o2h112glyceraldehyde
+GroAnsulip5959A2h0122,3-dihydroxypropanoic (glyceric) acid. WURCS is for 1-O(C=O)-linked Lac
+GroNtriol3934h2h_2*N2122-amino-2-deoxyglycerol (2-aminopropane-1,3-diol). Always D.
+Gulhexald44?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
+GulAhexald2924?2212A111110guluronic acid
+GulNhexald33?2212h_2*N1111122-amino-2-deoxygulose
+GulN3NAhexald3938?2212A_2*N_3*N1111102,3-diamino-2,3-dideoxyguluronic acid
+GulNAhexald3229?2212A_2*N1111102-amino-2-deoxyguluronic acid
+HEPhep*sug2919QQQQQQQ superclass: heptose
+Hephepsug11457 alias: heptose
+HEXhex*sug22QQQQQQ superclass: hexose
+Hexhexsug2214 alias: hexose
+Hisnsupep22A2d_2*N_3*C(C^ZCNC^ZN$3)012011histidine
+HSernsupep33A2dh_2*N0122homoserine
+Hxmva*alk11*OCCCCCC222223hexanol
+Hxomva*lip75*OCCCCCC/3=O022223hexanoic acid - C6:0
+Hypnsupep3513A2dxh_2-5*N*01212hydroxyproline (two isomers)
+iButmva*lip2013*OCCC/4C/3=O0133isobutyric acid - C4:0
+iC13mva*lip21*OCCCCCCCCCCCC/13C/3=O0222222222133iso-tridecanoic acid, C13:0
+iC15mva*lip99*OCCCCCCCCCCCCCC/15C/3=O022222222222133iso-pentadecanoic acid, C15:0
+Idohexald11?1212h111112idose
+IdoAhexald1818?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
+Ilensupep66A2ddm_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* 6664QQQQQQ superclass: any inositol
+iPammva*lip33*OCCCCCCCCCCCCCCC/16C/3=O0222222222222133isopalmitic acid - C16:0
+iPrmva*alk11*OCC/3C133isopropanol
+iVlmva*lip11*OCCCC/5C/3=O02133isovaleric acid - C5:0
+iYeroct*ald99?2d12m_4*1C^RC/2O*2112113133,6-dideoxy-4-C-[(R)-1-hydroxyethyl]-D-xylo-hexose (isoyersiniose or yersiniose B)
+Jalnsu*lip3330*1OCCCCCCCCCCC^SCCCCC/13O*11/3=O022222222212222311S-hydroxy-hexadecanoic (jalapinolic) acid - C16:0
+Kdnnon*ket4848A?d21122h0021111123-deoxy-D-glycero-D-galacto-non-2-ulosonic acid (ketodeoxynononic) acid
+Kdooct*ket40982852A?d1122h002111123-deoxy-D-manno-oct-2-ulosonic (ketodeoxyoctonic) acid
+Kdo-oloct*ol1313Axd1122h012112123-deoxy-D-glycero-D-galacto/talo-octonic acid (KDO alditol, any of the two isomers)
+Kdo8Noct*ket2222A?d1122h_8*N002111128-amino-3,8-dideoxy-D-manno-oct-2-ulosonic acid
+Kooct*ket155155A?11122h00111112D-glycero-D-talo-oct-2-ulosonic (ketooctonic) acid
+Lacnsulip174172*1OCC^XO*2/4C/3=O0132-hydroxypropanoic (lactic) acid ether (substituent: 1-carboxyethyl). WURCS is for 1-O-linked Lac
+Laumva*lip390319*OCCCCCCCCCCCC/3=O022222222223lauric (dodecanoic) acid - C12:0
+LD3,9dtalNon5N7N-ulosonicnon*ket11A?d11121m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-L-glycero-D-talo-non-2-ulosonic (4,8-epilegionaminic) acid
+LDglcHephep*ald44?21221h1111112L-glycero-D-gluco-heptose
+LDglcOct-3-ulooct*ket11h2?1221h21011112L-glycero-D-gluco-3-octulose (3-8 pyranose cycle)
+LDHephep*sug11 alias: LD-heptose
+LDidoHephep*ald22?12121h1111112L-glycero-D-ido-heptose
+LDmanHephep*ald56222191?11221h1111112L-glycero-D-manno-heptose
+Legnon*ket4545A?d21122m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-galacto-non-2-ulosonic (legionaminic) acid
+Leg8Nnon*ket11A?d21122m_5*N_7*N_8*N0021111135,7,8-triamino-3,5,7,8,9-pentadeoxy-D-glycero-D-galacto-non-2-ulosonic (8N-legionaminic) acid
+Leunsupep22A2ddm_2*N_4*C012133leucine
+Linmva*lip63*OCCCCCCCCC=^ZCCC=^ZCCCCCC/3=O/022222221121122223linoleic (cis,cis-9,12-octadecadienoic) acid - C18:2{9Z,12Z}
+LIPnsu* 631307A superclass: lipid residue
+LL3,9dglcNon5N7N-ulosonicnon*ket11A?d12111m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-gluco-nonulosonic acid
+Lysnsupep136115A2dddh_2*N_6*N012222lysine
+Lyxpenald139?112h11112lyxose
+Lyx3CHmhexald11?152h_3*CO1101223-C-(hydroxymethyl)lyxose (dihydrohydroxystreptose)
+Malnsu* 6464*OCCCO*/5=O/3=O020malonic acid (HOOC-CH2-COOH)
+Manhexald90583871?1122h111112mannose
+Man-olhexol6565h1122h211112mannitol
+Man1Nhexald33?1122h_1*N1111121-amino-1-deoxymannose
+Man3CMehepald54?1522h_3*C11011233-C-methylmannose
+Man3Nhexald22?1122h_3*N1111123-amino-3-deoxymannose
+Man4Nhexald64?1122h_4*N1111124-amino-4-deoxymannose
+ManAhexald4226?1122A111110mannuronic acid
+ManNhexald260233?1122h_2*N1111122-amino-2-deoxymannose
+ManN3NAhexald198141?1122A_2*N_3*N1111102,3-diamino-2,3-dideoxymannuronic acid
+ManNAhexald112100?1122A_2*N1111102-amino-2-deoxymannuronic acid
+Marmva*lip108*OCCCCCCCCCCCCCCCCC/3=O02222222222222223margaric (heptadecanoic) acid, C17:0
+mCoumnsu* 22*9OCC=^EC(CC^ECC^ZCC^Z$4)/8O*3/3=O010111110m-coumaric (E-3-(3-hydroxyphenyl)-2-propenoic) acid
+Memva*alk33971729*OC3methanol
+Metnsupep11A2dh_2*N_4*SC01223methionine
+Monmva*lip22*OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222222222223montanic (octacosanoic) acid - C28:0
+mPmN2nsu*pep4637A2ddd1A_2*N_6*N0122210meso-diaminopimelic acid (HOOC-(S)CH(NH2)-CH2-CH2-CH2-(R)CH(NH2)-COOH)
+Murnon*ald198171?2122h_2*N_3*OC^RCO/4=O/3C1111121032-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose (muramic acid)
+Mur-olnon*ol77h2122h_2*N_3*OC^RCO/4=O/3C2111121032-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucitol (muramic acid alditol)
+Mycolicnsu*lip32*1OCC^XC^XCCCCCCCCCCCCCCC/5O*3/4CCCCCCCCCCCCCC/3=O01112222222222222222222222222233class: mycolic acids (2-tetradecyl-3-hydroxy-derivatives of fatty acids)
+myoInonsu*ino8484111212111111myo-inositol (cis-1,2,3,5-trans-4,6-cyclohexanehexol) [2OH ax, other OH eq]
+myoIno1N3Nnsu*ino33111212_1*N_3*N1111111,3-dideoxy-1,3-diamino-myo-inositol
+myoIno2Nnsu*ino22111212_2*N1111112-deoxy-2-amino-myo-inositol
+Myrmva*lip328279*OCCCCCCCCCCCCCC/3=O02222222222223myristic (tetradecanoic) acid - C14:0
+Neunon*ket616452A?d21122h_5*N0021111125-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid (neuraminic) acid
+NFomva* 11*NC=O formamide (used e.g. in this case: NFo(1-6)aDGalpA)
+NH2mva* 223150*N ammonia
+Nnomva*lip11*OCCCCCCCCC/3=O022222223nonanoic (pelargonic) acid - C9:0
+nucAnsu* 1111a222h-1b_1-4_1*(NC^ZCC^ENC^ZN$3/4N^ZC$2)/5N_5*OPO/3O/3=O1111210001adenosine (A, bDRibf + 6-aminopurine)
+nucCnsu* 2929a222h-1b_1-4_1*NCN=^ECC=^ZC$2/5N/3=O_5*OPO/3O/3=O111120011cytidine (C, bDRibf + 4-amino-1H-pyrimidine-2-one)
+nucdTnsu* 2727ad22h-1b_1-4_1*NCNCC=^ZC$2/6C/5=O/3=O_5*OPO/3O/3=O1211200113deoxythymidine (dT, bD2dRibf + 5-methyluracil)
+nucGnsu* 3636a222h-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* 1313a222h-1b_1-4_1*NCNCC=^ZC$2/6C/5=O/3=O_5*OPO/3O/3=O1111200113thymidine (T, bDRibf + 5-methyluracil)
+nucUnsu* 8686a222h-1b_1-4_1*NCNCC=^ZC$2/5=O/3=O_5*OPO/3O/3=O111120011uridine (U, bDRibf + 2-oxy-4-oxy-pyrimidine)
+Ocmva*alk1414*OCCCCCCCC22222223octanol
+Ocomva*lip1513*OCCCCCCCC/3=O02222223octanoic acid - C8:0
+oCoumnsu* 22*9OCC=^EC(CC^ECC^ZCC^Z$4)/7O*2/3=O001111110o-coumaric (E-3-(2-hydroxyphenyl)-2-propenoic) acid
+Olemva*lip2421*OCCCCCCCCC=^ZCCCCCCCCC/3=O022222221122222223oleic (cis-9-octadecenoic) acid - C18:1{9Z}
+Oleanolicnsu* 250250@oleanolic~221012201021002201202233333033oleanolic (oleanic) acid (http://en.wikipedia.org/wiki/Oleanolic_acid)
+Ornnsupep33A2ddh_2*N_5*N01222ornithine
+Pnsu* 78484211*OPO*/3O/3=O phosphoric acid
+Pammva*lip251220*OCCCCCCCCCCCCCCCC/3=O0222222222222223palmitic (hexadecanoic) acid - C16:0
+Parhex*ald5653?2d22m1121133,6-dideoxy-D-ribo-hexose (paratose), 3dQui=3,6dAll
+pCoumnsu* 160149*9OCC=^EC(CC^ZCC^ECC^Z$4)/9O*4/3=O011011110p-coumaric (E-3-(4-hydroxyphenyl)-2-propenoic) acid
+PEPnsu*pep22AC_2*N superclass: aminoacid
+Phmva* 3131*O(CC^ZCC^ZCC^Z$3)011111phenol
+phCer-olnsu* 11@phthioceranol222222222222222221212222112333phthioceranol HOCH2-(CH2)16-CHOH-CH2-CHOH-(CH2)4-CH(CH3)-CH(OCH3)-Et
+Phensupep4949A2_2*N_2*C(CC^ZCC^ZCC^Z$3)012011111phenylalanine
+phSphnsu*sph22*1OCC^SC^SC^RCCCCCCCCCC/6O*4/5O*3/4N*2 any phytosphingosine (2S,3S,4R-2-amino-1,3,4-triol)
+phSphC18nsu*sph2020*1OCC^SC^SC^RCCCCCCCCCCCCCC/6O*4/5O*3/4N*2211122222222222223phytosphingosine, phytosphinganine (2S,3S,4R-2-amino-octadecane-1,3,4-triol) (phytosphingenine)
+phSphC20nsu*sph33*1OCC^SC^SC^RCCCCCCCCCCCCCCCC/6O*4/5O*3/4N*221112222222222222223icosasphingosine, icosaphytosphinganine (2S,3S,4R-2-amino-icosadecane-1,3,4-triol) (icosaphytosphingenine)
+Phthimva*lip51*OCC=^XCC^XCCCCCCCCCCCCCCCCCCCC/8C/6C/4C/3=O001121222222222222222223333(+)C27-phthienoic (2,4,6-trimethyl-tetracos-2-enoic) acid - C27:1{2}
+Phytmva*alk5729*OCCC^XCCCC^XCCCC^XCCCCC/5C/9C/13C/17C22122212221222133333phytanol (3,7,11,15-tetramethyl-hexadecanol, E20, R,S-configurations unknown)
+PmN2nsu*pep3222A2ddd2A_2*N_6*N0122210diaminopimelic acid (HOOC-(R)CH(NH2)-CH2-CH2-CH2-(R)CH(NH2)-COOH)
+Polygalacicnsu* 5757@polygalacic~211012201021002101202223333033polygalacic (2b,3b,4a,16a)-2,3,16,23-tetrahydroxy-olean-12-en-28-oic) acid (atom numbering: http://patentimages.storage.googleapis.com/EP2011517A1/imgf0003.png)
+Ppmva* 1713*OCCC/3=O023propanoic acid - C3:0
+Prmva*alk4646*OCCC223propanol
+Prcatnsu* 55*7OC(CC^ECC^ECC^Z$4)/7O*4/6O*3/3=O01001103,4-dihydroxybenzoic (protocatechuic) acid
+Pronsupep136A2ddh_2-5*N*01222proline
+Psenon*ket146144A?d22111m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-manno-non-2-ulosonic (pseudaminic) acid
+Pse8Nnon*ket22A?d22111m_5*N_7*N_8*N0021111135,7,8-triamino-3,5,7,8,9-pentadeoxy-L-glycero-L-manno-non-2-ulosonic (8N-pseudaminic) acid
+Pyrnsu 375346*OC^XO*/3CO/6=O/3C0032-oxopropanoic (pyruvic) acid acetal (substituent: 1-carboxyethylidene)
+Quihexald10595?2122m1111136-deoxyglucose (quinovose)
+Qui1N4Nhexald11?2122m_1*N_4*N1111131,4-diamino-1,4,6-trideoxyglucopyranose
+Qui3Nhexald196178?2122m_3*N1111133-amino-3,6-dideoxyglucose
+Qui3N-olhexol44h2122m_3*N2111133-amino-3,6-dideoxyglucitol
+Qui4Nhexald187185?2122m_4*N1111134-amino-4,6-dideoxyglucose (viosamine if D)
+QuiNhexald431392?2122m_2*N1111132-amino-2,6-dideoxyglucose
+QuiN-olhexol11h2122m_2*N2111132-amino-2,6-dideoxyglucitol
+QuiN3Nhexald22?2122m_2*N_3*N1111132,3-diamino-2,3,6-trideoxyglucose
+QuiN4Nhexald190189?2122m_2*N_4*N1111132,4-diamino-2,4,6-trideoxyglucose (bacillosamine)
+QuiN4N-olhexol11h2122m_2*N_4*N2111132,4-diamino-2,4,6-trideoxyglucitol
+Rhahexald81724876?1122m1111136-deoxymannose (rhamnose)
+Rha-olhexol4343h1122m2111136-deoxy-D-mannitol (D-rhamnitol?), 1-deoxy-D-mannitol (L-rhamnitol?)
+Rha3CMehepald107?1522m_3*C11011333-C-methylrhamnose
+Rha3CMe4Nhepald11?1522m_3*C_4*N11011333-C-methyl-4-deoxy-4-amino-rhamnose (kansosamine)
+Rha4Nhexald364176?1122m_4*N1111134-amino-4,6-dideoxymannose (perosamine if D)
+RhaNhexald99?1122m_2*N1111132-amino-2,6-dideoxymannose
+RhaN3Nhexald2222?1122m_2*N_3*N1111132,3-diamino-2,3,6-trideoxymannose
+RhaN4Nhexald33?1122m_2*N_4*N1111132,4-diamino-2,4,6-trideoxymannose
+Ribpenald244211?222h11112ribose
+Rib-olpenol321278h222h21112ribitol
+ribHex-3-ulohexald11?2U22h110112ribo-hexos-3-ulose
+ribHexNA-3-ulohexald11?2U22A_2*N1101102-amino-2-deoxy-ribo-hexos-3-ulose-uronic acid
+RR3HO3MePro-5-oxonsu* 33A26dA_2-5*N*_3*C010203(2R,3R)-3-hydroxy-3-methyl-5-oxoproline
+RSCetLysnsu*pep55A2dddh_2*N_6*NC^RCO/4=O/3C012222013(2R,8S)-N(epsilon)-(1-carboxyethyl)lysine (derived from D-Lys)
+S6Fuchexald22?2112m_6*SO/2=O/2=O1111126-sulphofucose (with C-S bond)
+S6Quihexald88?2122m_6*SO/2=O/2=O1111126-sulphoquinovose (with C-S bond)
+Snsu* 242156*OSO*/3=O/3=O sulfuric acid
+Salnsu* 77*7OC(CC^ECC^ZCC^Z$4)/5O*2/3=O00111102-hydroxybenzoic (salicylic) acid
+scylloInonsu*ino33121212111111scyllo-inositol (cis-1,3,5-trans-2,4,6-cyclohexanehexol) [all OH eq]
+Sedhepket85h?1222h2011112altro-hept-2-ulose (sedoheptulose)
+Sernsupep14197A2h_2*N012serine
+Shewanellosenon*ald77?2112m_2*NCC/3=O_4*1CCCN/4=O/3O*2/3O*31111132002-acetamido-4-C-(3'-carboxamide-2',2'-dihydroxypropyl)-2,6-dideoxy-D-galactose
+Sinnsu* 6052*9OCC=^EC(CC^ECC^ZCC^E$4)/10OC/9O*4/8OC/3=O01000111033sinapic/sinapinic (E-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic) acid
+Sorhexket22h?212h201112xylo-hex-2-ulose (sorbose)
+SPHnsu* 11@SPHINGOID superclass: sphyngoid
+Sphnsu*sph1313*1OCC^SC^RC=^ECCCCCCCCCC/5O*3/4N*2 any sphingosine, any sphingenine (2S,3R,4E-2-amino-4-en-1,3-diol) (4E-sphingenine)
+Sphnnsu*sph11*1OCC^SC^RCCCCCCCCCCC/5O*3/4N*2 any sphinganine (D-erythro- or D-threo-2-amino-1,3-diol C14-24)
+SRCetLysnsu*pep1313A1dddh_2*N_6*NC^RCO/4=O/3C012222013(2S,8R)-N(epsilon)-(1-carboxyethyl)lysine (derived from L-Lys)
+SS3,5HOHexnsu*lip77*1OCCC^SCC^SC/7O*5/5O*3/3=O0212133S,5S-dihydroxyhexanoic acid
+SSCetLysnsu*pep88A1dddh_2*N_6*NC^RCO/4=O/3C012222013(2S,8S)-N(epsilon)-(1-carboxyethyl)lysine (derived from L-Lys)
+Stemva*lip4846*OCCCCCCCCCCCCCCCCCC/3=O022222222222222223stearic (octadecanoic) acid - C18:0
+Subst1 * 335292@Subst1 alias: another substituent
+Subst2 * 187184@Subst2 alias: another substituent
+Subst3 * 1515@Subst3 alias: another substituent
+Subst4 * 11@Subst4 alias: another substituent
+Subst * 44204341@Subst alias: another substituent
+Sucnsu* 4135*OCCCCO*/6=O/3=O0220succinic acid (HOOC-CH2-CH2-COOH)
+Sug sug148123 alias: any monosaccharide
+SUG *sug7144 superclass: any monosaccharide
+Taghexket11h?112h201112lyxo-hex-2-ulose (tagatose)
+Tag-onichexket43A?112h001112lyxo-hex-2-ulosonic acid
+Talhexald55?1112h111112talose
+TalNhexald11?1112h_2*N1111122-amino-2-deoxytalose
+Taunsu*pep11*1OSCCN*3/3=O/3=O0222-aminoethanesulfonic acid (taurine)
+Thrnsupep9388A21m_2*N0113threonine (2S,3R)
+Thre-oltetol2929h12h2112threitol
+Thre-onictetopn66A12h0112threonic acid
+thrPen-4-ulopenald11?12Oh11102threo-pentos-4-ulose (ald function at C1, keto at C4)
+Tigmva*lip1010*OCC=^ECC/4C/3=O00133(E)-2-methylbut-2-enoic (tiglic) acid - C5:1
+Trpnsupep22A2_2*N_2*C(CC^ZCC^ZCC^ZC$4/5NC$3)01201001111tryptophan
+Tyrnsupep1313A2_2*N_2*C(CC^ZCC^ZCC^Z$3)/6O012011011tyrosine
+Tyvhex*ald7769?1d22m1121133,6-dideoxy-D-arabino-hexose (tyvelose), 3dRha=3,6dAlt
+Tyv4Nhex*ald11?1d22m_4*N1121134-amino-3,4,6-trideoxy-D-arabino-hexose
+Udomva*lip74*OCCCCCCCCCCC/3=O02222222223undecanoic acid - C11:0
+Undmva*alk2020*OCCCCCCCCCCC22222222223undecanol
+Vacmva*lip2525*OCCCCCCCCCCC=^XCCCCCCC/3=O022222222211222223vaccenic (11-octadecenoic) acid - C18:1{11}
+Valnsupep2412A2dm_2*N_3*C01133valine
+Van3N3CMehep*ald11?d621m_3*N_3*C12011333-amino-2,3,6-trideoxy-3-C-methyl-L-lyxo-hexose (vancosamine)
+Vlmva*lip33*OCCCCC/3=O02223valeric acid - C5:0
+Xulpenket2215h?12h20112threo-pent-2-ulose (xylulose)
+Xylpenald28321624?212h11112xylose
+Xyl-olpenol11h212h21112xylitol
+Xyl1N-olpenol22h212h_1*N211121-amino-1-deoxy-xylytol
+XylNpenald33?212h_2*N111122-amino-2-deoxyxylose
+Yeroct*ald2423?2d12m_4*1C^SC/2O*2112113133,6-dideoxy-4-C-[(S)-1-hydroxyethyl]-D-xylo-hexose (yersiniose or yersiniose A)

Residue is a name of the residue. When expanded, all anomeric, absolute and ringsize configurations are shown. Superclasses and aliases are in green.

Size is a type or carbon skeleton size of the residue:

Type is a structural class of the residue:

Abundance is how many times the residue and its forms appear in the database. Multiple instances within a single compound are counted as many times, as residue appear in the structure. If a residue and its configuration are considered widespread during structure iteration (see GRASS), its abundance is italized.

Structures is in how many distinct compounds the residue and its forms appear (multiple instances within a single compound are counted only once).

Proton count   is a character code, each character specifying how many protons are attached to a corresponding atom, as numbered in the structural formula. Default positions that can form an outgoing bond are highlighted in red. When expanded, atomic patterns aligned to this code are displayed in this column.

WURCS   is residue or modification code in WURCS 2.0 notation. If a residue can have absolute configurations (i.e. it is optically active and configuration is not a part of its name), its code is given for D-configuration. Star indices reflect substitution positions (carbon numbers); upon usage they should be reordered sequentially, and unused stars should be removed together with indices.

Description are the residue IUPAC name and other notes.

Atom types   is <ANY> (unknown carbon skeleton size) or a character code for each ring form, each character corresponding to a carbon position, as numbered in the structural formula. Atomic patterns are aligned with proton count. Possible characters are:

An icon is a link to corresponding MonosaccharideDB entry.


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