CSDB monomer namespace

Please note! The statistics on this page is from 2015 (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
+Subst1 * 264124@Subst1 alias: another substituent
+Subst2 * 11334@Subst2 alias: another substituent
+Subst3 * 123@Subst3 alias: another substituent
+Subst4 * 32@Subst4 alias: another substituent
+Subst5 * 00@Subst5 alias: another substituent
+Subst * 31221452@Subst alias: another substituent
+Sug sug219109 alias: any monosaccharide
+SUG *sug7737 superclass: any monosaccharide
Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+Etgdi*ol74hh22ethylene glycol
Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+Grotriol1141355h2h212glycerol
+Gro-altriopn1813o2h112glyceraldehyde
+GroNtriol6120h2h_2*N2122-amino-2-deoxyglycerol (2-aminopropane-1,3-diol). Always D.
Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+1,3dgroTet-oltetol00m2dh31221,3-dideoxy-glycero-tetritol
+1dEry-oltetol2911m22h31121-deoxyerythritol
+1dThre-oltetol11m12h31121-deoxythreitol
+1dThre3N-oltetol00m12h_3*N31123-amino-1,3-dideoxythreitol
+3dgroTettetald00o2dh11223-deoxy-glycero-tetrose
+3dgroTet-oltetol00h2dh21223-deoxy-glycero-tetritol
+4dEry-oltetol11h22m21134-deoxyerythritol (alias for 1-deoxyerythritol ?)
+Erutetket00hO2h2012erythrulose
+Ery-oltetol37261h22h2112erythritol
+Ery-onictetopn75A22h0112erythronic acid
+EryNtetald00?22h_2*N11122-amino-2-deoxyerythrose
+Tettetsug00 alias: tetrose
+Thretetald00?12h1112threose
+Thre-oltetol1811h12h2112threitol
+Thre-onictetopn44A12h0112threonic acid
+ThreNtetald00?12h_2*N11122-amino-2-deoxythreose
Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+2dRibpenald112?d22h121122-deoxy-erytro-pentose (2d-Rib = 2d-Ara)
+2dthrPen4Npenald55?d12h_4*N121124-amino-2,4-dideoxy-threo-pentose
+3deryPenpenald739?2d2h112123-deoxy-erytro-pentose (3d-Rib = 3d-Xyl)
+Apipenald11?26h_3*CO11022apiose (3-C-(hydroxymethyl)-D/L-glycero-tetrose)
+Arapenald3024158?122h11112arabinose
+Ara-olpenol6836h122h21112arabinitol
+Ara4Npenald22071?122h_4*N111124-amino-4-deoxyarabinose
+eryPen-4-ulopenald00?22Oh11102erythro-pentos-4-ulose (ald function at C1, keto at C4)
+Lyxpenald54?112h11112lyxose
+Lyx-olpenol105h112h21112lyxitol
+PENpen*sug00QQQQQ superclass: pentose
+Penpensug00 alias: pentose
+Ribpenald350154?222h11112ribose
+Rib-olpenol304135h222h21112ribitol
+RibApenald11?222A11110riburonic acid
+Rulpenket00h?22h20112erythro-pent-2-ulose (ribulose)
+Xulpenket1410h?12h20112threo-pent-2-ulose (xylulose)
+Xylpenald946228?212h11112xylose
+Xyl-olpenol77h212h21112xylitol
+XylN-onicpenopn163A212h_2*N011122-amino-2-deoxy-xylonic acid
Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+1,2,6daraHexhexald00dd122m2211131,2,6-trideoxy-arabino-hexose (olivose in C-glycoside)
+1,4dxylHexhexald157d21d2h2112121,4-dideoxy-xylo-hexose
+1,6anhGlchexald00?2122h_1-62111121,6-anhydroglucose
+1,6anhGlcNhexald00?2122h_1-6_2*N2111122-amino-1,6-anhydro-2-deoxyglucose
+1,6dGulhexald11d2212m2111131,6-dideoxygulose
+1dAllhexald2611d2222h2111121-deoxy-allose
+1dGalhexald22d2112h2111121-deoxy-galactose (the same as linear form of 1,5-anhGal-ol, which still has 1-5 cycle)
+1dGlchexald3420d2122h2111121-deoxy-glucose (the same as linear form of 1,5-anhGlc-ol, which still has 1-5 cycle)
+1dOlihexald1010dd122m2211131,2,6-trideoxy-arabino-hexose (olivose in C-glycoside)
+1dRhahexald11d1122m2111131,6-dideoxymannose (1-deoxyrhamnose)
+2,5anhManhexald1111A1122h_2-51111122,5-anhydromannose
+2,5anhMan-olhexol104h1122h_2-52111122,5-anhydromannitol
+2,5anhTalhexald43A1112h_2-51111122,5-anhydrotalose
+2,6daraHexhexald00?d122m1211132,6-dideoxy-arabino-hexose (olivose, 2d-Qui = 2d-Rha), 3OMe-derivative = oleandrose
+2,6daraHex3Nhexald00?12d2m_3*N1211133-amino-2,3,6-trideoxy-arabino-hexose
+2,6daraHex4Nhexald00?d122m_4*N1211134-amino-2,4,6-trideoxy-arabino-hexose
+2,6dlyxHex3Nhexald00?11d2m_3*N1211133-amino-2,3,6-trideoxy-lyxo-hexose
+2,6dxylHexhexald00?d212m1211132,6-dideoxy-xylo-hexose (sarmentose = boiviniose, 2d6d-Gul = 2d6d-Ido)
+2daraHexAhexald54?d122A1211102-deoxy-arabino-hexuronic acid (2-deoxyglucuronic acid)
+3dthrHex-ulosonichexket11A?d12h0021123-deoxy-threo-hex-2-ulosonic acid
+4,6daraHexNhexald00?12d2m_2*N1112132-amino-2,4,6-trideoxy-arabino-hexose
+4daraHexhexald158?12d2h1112124-deoxy-arabino-hexose
+4deryHex4enAhexald66?22eEA1111004-deoxy-erythro-hex-4-enuronic acid
+4deryHex4enNAhexald33?22eEA_2*N1111002-amino-2,4-dideoxy-erythro-hex-4-enuronic acid
+4dthrHex4enhexald42?12eEh1111024-deoxy-threo-hex-4-enose
+4dthrHex4enAhexald1311?12eEA1111004-deoxy-threo-hex-4-enuronic acid
+4dthrHex4enNAhexald74?12eEA_2*N1111002-amino-2,4-dideoxy-threo-hex-4-enuronic acid
+4dxylHexhexald22?21d2h1112124-deoxy-xylo-hexose
+6dAlthexald5122?1222m1111136-deoxyaltrose
+6dAltNhexald104?1222m_2*N1111132-amino-2,6-dideoxyaltrose
+6dAltN4Nhexald11?1222m_2*N_4*N1111132,4-diamino-2,4,6-trideoxyaltrose
+6daraHexN-4-ulohexald11?12U2m_2*N1110132-amino-2,6-dideoxy-arabino-hexos-4-ulose
+6dIdohexald00?1212m1111136-deoxyidose
+6dribHex-3-ulohexald22?2U22m1101136-deoxy-ribo-hexos-3-ulose
+6dTalhexald25895?1112m1111136-deoxytalose
+6dTal3Nhexald00?1112m_3*N1111133-amino-3,6-dideoxytalose
+6dTalNhexald155?1112m_2*N1111132-amino-2,6-dideoxytalose (pneumosamine if D)
+6dxylHex-4-ulohexald11?21U2m1110136-deoxy-xylo-hexos-4-ulose
+6dxylHexN-4-ulohexald459?21U2m_2*N1110132-amino-2,6-dideoxy-xylo-hexos-4-ulose
+Abehex*ald4823?2d12m1121133,6-dideoxy-D-xylo-hexose (abequose), 3dFuc=3,6dGul
+Aco3Nhex*ald00?d121m_3*N1211133-amino-2,3,6-trideoxy-L-xylo-hexose (acosamine)
+All-olhexol00h2222h211112allitol
+All1N5NAhexald379?2222A_1*N_5*N1111101,5-diamino-1,5-deoxy-alluronic acid
+All5NAhexald00?2222A_5*N1111105-amino-5-deoxy-alluronic acid
+AllNhexald43?2222h_2*N1111122-amino-2-deoxyallose
+AllN3Nhexald00?2222h_2*N_3*N1111122,3-diamino-2,3-dideoxyallose
+Althexald8426?1222h111112altrose
+Alt-olhexol00h1222h211112altritol
+AltAhexald4721?1222A111110altruronic acid
+AltNhexald00?1222h_2*N1111122-amino-2-deoxyaltrose
+AltN3Nhexald00?1222h_2*N_3*N1111122,3-diamino-2,3-dideoxyaltrose
+Amihexald11?dd22m1221132,3,6-trideoxy-erythro-hexose (amicetose, default: D)
+Aschex*ald96?2d11m1121133,6-dideoxy-L-arabino-hexose (ascarilose), 3dRha=3,6dAlt
+Colhex*ald5126?1d21m1121133,6-dideoxy-L-xylo-hexose (colitose), 3dFuc=3,6dGul
+Dighexald1711?d222m1211132,6-dideoxy-ribo-hexose (digitoxose, 2d6d-All = 2d6d-Alt), 3OMe-derivative = cymarose
+Fruhexket63688h?122h201112fructose (arabino-hex-2-ulose)
+Fuchexald970396?2112m1111136-deoxygalactose (fucose)
+Fuc1N-olhexol11h2112m_1*N2111131-amino-1,6-dideoxy-D-galactitol
+Fuc3Nhexald15358?2112m_3*N1111133-amino-3,6-dideoxygalactose
+Fuc4Nhexald6122?2112m_4*N1111134-amino-4,6-dideoxygalactose (thomosamine if D)
+FucNhexald513238?2112m_2*N1111132-amino-2,6-dideoxygalactose
+FucN4Nhexald11663?2112m_2*N_4*N1111132,4-diamino-2,4,6-trideoxygalactose
+Fuclhexket00h?112m2011136-deoxy-tagatose (fucolose when L)
+Galhexald113903076?2112h111112galactose
+Gal-olhexol105h2112h211112galactitol
+Gal3Nhexald00?2112h_3*N1111123-amino-3-deoxygalactose
+GalAhexald633275?2112A111110galacturonic acid
+GalNhexald2156867?2112h_2*N1111122-amino-2-deoxygalactose
+GalN-olhexol33h2112h_2*N2111122-amino-2-deoxygalactitol
+GalN1Nhexald11?2112h_1*N_2*N1111121,2-diamino-1,2-dideoxygalactose (used for N-glycans)
+GalN3Nhexald00?2112h_2*N_3*N1111122,3-diamino-2,3-dideoxygalactose
+GalN3NAhexald42?2112A_2*N_3*N1111102,3-diamino-2,3-dideoxygalacturonic acid
+GalNAhexald331122?2112A_2*N1111102-amino-2-deoxygalacturonic acid
+Glchexald195914101?2122h111112glucose
+Glc-olhexol8419h2122h211112glucitol
+Glc1Nhexald2016?2122h_1*N1111121-amino-1-deoxyglucose (used for N-glycans)
+Glc1Shexald102?2122m_1*S1111121-thioglucose (with C-SH bond)
+Glc3Nhexald22?2122h_3*N1111123-amino-3-deoxy-glucose (kanosamine when D)
+Glc3NAhexald11?2122A_3*N1111103-amino-3-deoxyglucuronic acid
+Glc6Nhexald22?2122h_6*N1111126-amino-6-deoxyglucose
+GlcAhexald1781736?2122A111110glucuronic acid
+GlcNhexald95832879?2122h_2*N1111122-amino-2-deoxyglucose
+GlcN-olhexol34679h2122h_2*N2111122-amino-2-deoxyglucitol
+GlcN-onichexopn62A2122h_2*N0111122-amino-2-deoxygluconic acid
+GlcN1Nhexald8359?2122h_1*N_2*N1111121,2-diamino-1,2-dideoxyglucose (used for N-glycans)
+GlcN3Nhexald11957?2122h_2*N_3*N1111122,3-diamino-2,3-dideoxyglucose
+GlcN3NAhexald15560?2122A_2*N_3*N1111102,3-diamino-2,3-dideoxyglucuronic acid
+GlcNAhexald4425?2122A_2*N1111102-amino-2-deoxyglucuronic acid
+Gulhexald11?2212h111112gulose
+Gul-olhexol00h2212h211112gulitol
+GulAhexald219?2212A111110guluronic acid
+GulN3Nhexald00?2212h_2*N_3*N1111122,3-diamino-2,3-dideoxygulose
+GulN3NAhexald115?2212A_2*N_3*N1111102,3-diamino-2,3-dideoxyguluronic acid
+GulNAhexald1717?2212A_2*N1111102-amino-2-deoxyguluronic acid
+HEXhex*sug526QQQQQQ superclass: hexose
+Hexhexsug63 alias: hexose
+IdoAhexald187?1212A111110iduronic acid
+IdoN3Nhexald00?1212h_2*N_3*N1111122,3-diamino-2,3-dideoxyidose
+LyxN2CMe-onichexopn00A512h_2*N_2*C0011232-amino-2-deoxy-2-C-methyllyxonic acid
+Manhexald214892458?1122h111112mannose
+Man-olhexol9959h1122h211112mannitol
+Man-onichexopn1910A1122h011112mannonic acid
+Man1Nhexald73?1122h_1*N1111121-amino-1-deoxymannose
+ManAhexald3613?1122A111110mannuronic acid
+ManNhexald596133?1122h_2*N1111122-amino-2-deoxymannose
+ManN3Nhexald00?1122h_2*N_3*N1111122,3-diamino-2,3-dideoxymannose
+ManN3NAhexald10234?1122A_2*N_3*N1111102,3-diamino-2,3-dideoxymannuronic acid
+ManNAhexald18266?1122A_2*N1111102-amino-2-deoxymannuronic acid
+Olihexald1410?d122m1211132,6-dideoxy-arabino-hexose (olivose, 2d-Qui = 2d-Rha), 3OMe-derivative = oleandrose
+Parhex*ald8316?2d22m1121133,6-dideoxy-D-ribo-hexose (paratose), 3dQui=3,6dAll
+Quihexald43?2122m1111136-deoxyglucose (quinovose) (3-O-methyl derivative = thevetose)
+Qui-olhexol00h2122m2111136-deoxy-glucitol (quinovitol) = 1-deoxy-gulitol
+Qui1N4Nhexald21?2122m_1*N_4*N1111131,4-diamino-1,4,6-trideoxyglucopyranose
+Qui3Nhexald7154?2122m_3*N1111133-amino-3,6-dideoxyglucose
+Qui4Nhexald8044?2122m_4*N1111134-amino-4,6-dideoxyglucose (viosamine if D)
+QuiNhexald256134?2122m_2*N1111132-amino-2,6-dideoxyglucose
+QuiN1N4Nhexald11?2122m_1*N_2*N_4*N1111131,2,4-triamino-1,2,4,6-tetradeoxyglucopyranose (used for N-glycans)
+QuiN4Nhexald261114?2122m_2*N_4*N1111132,4-diamino-2,4,6-trideoxyglucose (bacillosamine)
+QuiN4N-olhexol11h2122m_2*N_4*N2111132,4-diamino-2,4,6-trideoxyglucitol
+Rhahexald51251312?1122m1111136-deoxymannose (rhamnose)
+Rha-olhexol76h1122m2111136-deoxy-D-mannitol (D-rhamnitol?), 1-deoxy-D-mannitol (L-rhamnitol?)
+Rha3Nhexald137?1122m_3*N1111133-amino-3,6-dideoxymannose (mycosamine if D)
+Rha4Nhexald26328?1122m_4*N1111134-amino-4,6-dideoxymannose (perosamine if D)
+RhaNhexald137?1122m_2*N1111132-amino-2,6-dideoxymannose
+RhaN3Nhexald128?1122m_2*N_3*N1111132,3-diamino-2,3,6-trideoxymannose
+RhaN4Nhexald22?1122m_2*N_4*N1111132,4-diamino-2,4,6-trideoxymannose
+Rhohex*ald1410?dd21m1221132,3,6-trideoxy-L-threo-hexose (rhodinose)
+Sorhexket32h?212h201112sorbose (xylo-hex-2-ulose)
+Tag-onichexket21A?112h001112lyxo-hex-2-ulosonic acid
+Talhexald11?1112h111112talose
+Tal-olhexol00h1112h211112talitol
+TalAhexald00?1112A111110taluronic acid
+TalN3Nhexald00?1112h_2*N_3*N1111122,3-diamino-2,3-dideoxytalose
+TalNAhexald00?1112A_2*N1111102-amino-2-deoxytaluronic acid
+Tyvhex*ald4319?1d22m1121133,6-dideoxy-D-arabino-hexose (tyvelose), 3dRha=3,6dAlt
+xylHex-4-ulohexald00?21U2h111012xylo-hexos-4-ulose
Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+2,7anhSedhepket00h?1222h_2-720111122,7-anhydro-altro-hept-2-ulopyranose (sedoheptulosan if D)
+3dlyxHep-ulosarichepket11A?d112A00211103-deoxy-lyxo-hept-2-ulosaric acid (Dha_A when D)
+6dallHephepald00?2222dh11111226-deoxy-allo-heptose
+6daltHephepald1812?1222dh11111226-deoxy-altro-heptose
+6dgalHephepald32?2112dh11111226-deoxy-galacto-heptose
+6dglcHephepald00?2122dh11111226-deoxy-gluco-heptose
+6dgulHephepald53?2212dh11111226-deoxy-gulo-heptose
+6didoHephepald74?1212dh11111226-deoxy-ido-heptose
+6dmanHephepald4817?1122dh11111226-deoxy-manno-heptose
+DDaltHephep*ald44?12222h1111112D-glycero-D-altro-heptose
+DDgalHephep*ald243?21122h1111112D-glycero-D-galacto-heptose
+DDHEPhep*sug00QQQQ22Q superclass: DD-heptose
+DDidoHep-olhep*ol11h12122h2111112D-glycero-D-ido-heptitol
+DDmanHephep*ald32189?11222h1111112D-glycero-D-manno-heptose
+DDmanHep-olhep*ol61h11222h2111112D-glycero-D-manno-heptitol
+DLglcHephep*ald3111?12112h1111112D-glycero-L-gluco-heptose
+DLmanHephep*ald00?22112h1111112D-glycero-L-manno-heptose
+Hephepsug4712 alias: heptose
+HEPhep*sug81QQQQQQQ superclass: heptose
+LDHEPhep*sug00QQQQ21Q superclass: LD-heptose
+LDidoHephep*ald33?12121h1111112L-glycero-D-ido-heptose
+LDmanHephep*ald1168224?11221h1111112L-glycero-D-manno-heptose
+LDmanHep-olhep*ol00h11221h2111112L-glycero-D-manno-heptitol
+LLmanHephep*ald14412?22111h1111112L-glycero-L-manno-heptose
+Rha3CMehepald32?1522m_3*C11011333-C-methylrhamnose (evalose)
Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+2,7anhKdo-oloctol00Axd1122h_2-7012111122,7-anhydro-3-deoxy-D-glycero-D-galacto/talo-octonic acid
+2,7anhmanOct-onicoctopn00Axx1122h_2-7011111122,7-anhydro-manno-octonic acid
+4,7anhKdooct*ket155A?d1122h_4-7002111124,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
+4,8anhKdooct*ket32A?d1122h_4-8002111124,8-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
+Desoct*ald00?21d2m_3*NC/2C111213333-dimethylamino-3,4,6-trideoxy-D-xylo-hexose (desosamine)
+Kdooct*ket919384A?d1122h00211112ketodeoxyoctonic acid (3-deoxy-D-manno-oct-2-ulosonic acid)
+Kdo8Noct*ket32A?d1122h_8*N002111128-amino-3,8-dideoxy-D-manno-oct-2-ulosonic acid
+Kooct*ket3928A?11122h00111112ketooctonic acid (D-glycero-D-talo-oct-2-ulosonic acid)
+Mycoct*ald00?2122m_3*NC/2C111113333-dimethylamino-3,6-dideoxy-D-glucose (mycaminose)
+OCToct*sug00QQQQQQQQ superclass: octose
+Octoctsug00 alias: octose
+Pau4CHeoctald2510?d112m_4*1CC/2O*2121013132,6-dideoxy-4C-(1-hydroxyethyl)-lyxo-hexose (paulomycose, default: L, stereo at C7 unknown)
+Rhonoctald33?d112m_3*NC/2C121113333-dimethylamino-2,3,6-trideoxy-lyxo-hexose (rhodosamine)
+Yeroct*ald96?2d12m_4*1C^SC/2O*2112013133,6-dideoxy-4-C-[(S)-1-hydroxyethyl]-D-xylo-hexose (yersiniose or yersiniose A)
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)
+4eLegnon*ket32A?d11122m_5*N_7*N0021111134-epilegionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-talo-non-2-ulosonic)
+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*ket1910A?d21121m_5*N_7*N0021111138-epilegionaminic (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-D-galacto-non-2-ulosonic)
+8ePsenon*ket33A?d22112m_5*N_7*N0021111138-epipseudaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-manno-non-2-ulosonic)
+Acinon*ket134A?d21111m_5*N_7*N002111113acinetaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-altro-non-2-ulosonic)
+Caryosenon*ald21?1d61215m1120111034,8-cyclo-3,9-dideoxy-L-erythro-D-ido-nonose
+DD3,9dgulNon5N7N-ulosonicnon*ket00A?d22122m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-gulo-non-2-ulosonic acid
+DD3,9dthraltNon-onicnon*opn11A1d22212m0121111133,9-dideoxy-D-threo-D-altro-nononic acid
+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*ket116A?d12112m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-gluco-nonulosonic acid
+Fusnon*ket125A?d12111m_5*N002111113fusaminic acid (5-amino-3,5,9-trideoxy-L-glycero-L-gluco-nonulosonic)
+Kdnnon*ket3119A?d21122h002111112ketodeoxynononic acid (3-deoxy-D-glycero-D-galacto-non-2-ulosonic)
+Legnon*ket5429A?d21122m_5*N_7*N002111113legionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-galacto-non-2-ulosonic)
+Lincose1SMe6Nnon*ald00a211222m_1*SC_6*N1111111336-amino-6,8-dideoxy-1-methylthio-D-erythro-D-galactose (methyl-thio-lincosamide)
+Murnon*ald1813?2122h_2*N_3*OC^RCO/4=O/3C1111121032-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose (muramic acid)
+Neunon*ket478124A?d21122h_5*N002111112neuraminic acid (5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic)
+NONnon*sug00QQQQQQQQQ superclass: nonose
+Nonnonsug00 alias: nonose
+Psenon*ket13865A?d22111m_5*N_7*N002111113pseudaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-manno-non-2-ulosonic)
Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+DECdec*sug00QQQQQQQQQQ superclass: decose
+Erwiniosedec*ald64?2d21d2m_4*1C^RC/2O*211201213133,6,8-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-gulo-octose
Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+Caryophyllosedod*ald85?2d21d222m_4*1C^RC/2O*21120121113133,6,10-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-erythro-D-gulo-decose
Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+10b1C19mvalip33*OCCCCCCCCCC^XCCCCCCCC/12C/3=O0222222221222222233tuberculostearic acid (10-methyl-octadecanoic acid)
+17HOLinmvalip437*OCCCCCCCCC=^ZCCC=^ZCCCCCC/19O*17/3=O/02222222112112221317-hydroxy-linoleic acid (17-hydroxy-9Z,12Z-octadecadienoic acid)
+3oxoMyrmva*lip128*OCCCCCCCCCCCCCC/5=O/3=O020222222222233-oxo-tetradecanoic acid
+Acmva* 184213381*OCC/3=O03acetic acid
+Achmva*lip22*OCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222223arachidic acid (icosanoic acid)
+aiVlmvalip124*OCC^XCC/3=O/4C01233anteisovaleric acid (2-methyl-butyric acid)
+ALKmva*alk2615@ALKYL superclass: alcohol residue (alkyl)
+Allylmva* 95*OCC=C212allyl alcohol
+aLnnmva*lip11*OCCCCCCCCC=^XCCC=^XCCC=^XCCC/3=O/022222221121121123(9,12,15)-linolenic acid (9,12,15-octadecatrienoic acid)
+Ammva* 11362*OCC/3=N13acetimidic acid (HO-C(=NH)-CH3)
+Behmva*lip32*OCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222223behenic acid (docosanoic)
+Bnmva* 298*OC(CC^ZCC^ZCC^Z$4)0111112benzoic alcohol
+Bumva*alk118*OCCCC2223butanol
+Butmva*lip5520*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
+C12={6}mva*lip11*OCCCCCC=^XCCCCCC/3=O022221122223dodec-6-enoic acid
+C13={6}mva*lip11*OCCCCCC=^XCCCCCCC/3=O0222211222223tridec-6-enoic acid
+C13mva*lip22*OCCCCCCCCCCCCC/3=O0222222222223tridecanoic acid
+C14={5}mva*lip11*OCCCCC=^XCCCCCCCCC/3=O02221122222223tetradec-5-enoic acid
+C14={6}mva*lip32*OCCCCCC=^XCCCCCCCC/3=O02222112222223tetradec-6-enoic acid
+C14={7}mva*lip64*OCCCCCCC=^XCCCCCCC/3=O02222211222223tetradec-7-enoic acid
+C14={8}mva*lip11*OCCCCCCCC=^XCCCCCC/3=O02222221122223tetradec-8-enoic acid
+C15={6}mva*lip11*OCCCCCC=^XCCCCCCCCC/3=O022221122222223pentadec-6-enoic acid
+C15mva*lip84*OCCCCCCCCCCCCCCC/3=O022222222222223pentadecanoic acid
+C16={11}mva*lip42*OCCCCCCCCCCC=^XCCCCC/3=O0222222222112223hexadec-11-enoic acid
+C16={6}mva*lip64*OCCCCCC=^XCCCCCCCCCC/3=O0222211222222223hexadec-6-enoic acid
+C16={?,?}mva*lip22@C16{=,=}0??????????????3hexadecadienoic acid
+C17={6}mva*lip11*OCCCCCC=^XCCCCCCCCCCC/3=O02222112222222223heptadec-6-enoic acid
+C18={6}mva*lip11*OCCCCCC=^XCCCCCCCCCCCC/3=O022221122222222223octadec-6-enoic acid
+C18={?}mva*lip3013@C18{=}0????????????????3octadecenoic acid
+C18={t9}mva*lip322*OCCCCCCCCC=^ECCCCCCCCC/3=O/022222221122222223trans-9-octadecenoic acid
+C18c{9,11}mva*lip00*OCCCCCCCCCCCCCCCCC/12C$11/3=O022222221212222223cyclo-9,11-octadecanoic acid
+cdPammva*lip33*OCCCCCCCCC=^ZCCCCCCC/3=O0222222211222223cis-palmitoleic (hexadecenoic) acid
+Ceroplasticmva*lip00*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222222222222223ceroplastic acid (pentatriacontanoic acid)
+Cmmva* 3113*NCO/3=O carbamic acid (H2N-COOH) (WURCS is given for N-linked Cm)
+Crtmva*lip158*OCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222223cerotic acid (hexacosanoic acid)
+cVacmva*lip11*OCCCCCCCCCCC=^ZCCCCCCC/3=O022222222211222223cis-vaccenic (cis-11-octadecenoic) acid
+d2Achmva*lip00*OCCCCCCCC=^XCCC=^XCCCCCCCCC/3=O022222211211222222238,11-icosadienoic acid
+d3Achmva*lip00*OCCCCC=^XCCC=^XCCC=^XCCCCCCCCC/3=O022211211211222222235,8,11-icosatrienoic acid
+d4Achmva*lip00*OCCCCC=^XCCC=^XCCC=^XCCC=^XCCCCCC/3=O02221121121121122223arachidonic acid (5,8,11,14-icosatetraenoic acid)
+Dcomva*lip3820*OCCCCCCCCCC/3=O0222222223capric acid (decanoic acid)
+Decmva*alk74*OCCCCCCCCCC2222222223decanol
+dPammva*lip106*OCCCCCCCCC=^XCCCCCCC/3=O0222222211222123palmitoleic acid (hexadecenoic acid)
+eStemva*lip00*OCCCCCCCCC=^XCC=^XCC=^XCCCCC/3=O/022222221111112223eleostearic acid (9,11,13-octadecatrienoic acid)
+Etmva*alk3117*OCC23ethanol
+Fomva* 26643*OC=O formic acid
+Geddicmva*lip00*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222222222222222223geddic acid (tetratriacontanoic acid)
+Hpmva*alk00*OCCCCCCC2222223heptanol
+Hxmva*alk63*OCCCCCC222223hexanol
+Hxomva*lip3314*OCCCCCC/3=O022223hexanoic acid
+iButmva*lip156*OCCC/4C/3=O0133isobutyric acid
+iC13mva*lip22*OCCCCCCCCCCCC/13C/3=O0222222222133iso-tridecanoic acid
+iC15mva*lip2110*OCCCCCCCCCCCCCC/15C/3=O022222222222133iso-pentadecanoic acid
+iPammva*lip11*OCCCCCCCCCCCCCCC/16C/3=O0222222222222133isopalmitic acid
+iPrmva*alk11*OCC/3C133isopropanol
+iVlmva*lip43*OCCCC/5C/3=O02133isovaleric acid
+Laumva*lip279141*OCCCCCCCCCCCC/3=O022222222223lauric acid (dodecanoic acid)
+Ligmva*lip54*OCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222223lignoceric acid (tetracosanoic acid)
+Linmva*lip144*OCCCCCCCCC=^ZCCC=^ZCCCCCC/3=O/022222221121122223linoleic acid (cis,cis-9,12-octadecadienoic acid)
+Marmva*lip11*OCCCCCCCCCCCCCCCCC/3=O02222222222222223margaric acid (heptadecanoic acid)
+Memva*alk1320590*OC3methanol
+Monmva*lip135*OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222222222223montanic acid (octacosanoic acid)
+MVAmva* 00 superclass: any monovalent residue
+Myrmva*lip285129*OCCCCCCCCCCCCCC/3=O02222222222223myristic acid (tetradecanoic acid)
+NH2mva* 11959*N ammonia
+Ocmva*alk208*OCCCCCCCC22222223octanol
+Ocomva*lip5014*OCCCCCCCC/3=O02222223octanoic acid
+Olemva*lip4214*OCCCCCCCCC=^ZCCCCCCCCC/3=O022222221122222223oleic acid (cis-9-octadecenoic acid)
+Pammva*lip283106*OCCCCCCCCCCCCCCCC/3=O0222222222222223palmitic acid (hexadecanoic acid)
+PhNO2mva* 11*O(CC^ZCC^ZCC^Z$3)/7N=O*4/7O011011@paranitrolhenol~
+Phthimva*lip72*OCC=^XCC^XCCCCCCCCCCCCCCCCCCCC/8C/6C/4C/3=O001121222222222222222223333+C27-phthienoic acid (2,4,6-trimethyl-tetracos-2-enoic acid)
+Ppmva* 4512*OCCC/3=O023propanoic acid
+Prmva*alk117*OCCC223propanol
+Psyllicmva*lip00*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222222222222223psyllic acid (tritriacontanoic acid)
+Stemva*lip10938*OCCCCCCCCCCCCCCCCCC/3=O022222222222222223stearic acid (octadecanoic acid)
+Tigmva*lip41*OCC=^ECC/4C/3=O00133tiglic acid ((E)-2-methylbut-2-enoic acid)
+Undmva*alk128*OCCCCCCCCCCC22222222223undecanol
+Vacmva*lip63*OCCCCCCCCCCC=^XCCCCCCC/3=O022222222211222223vaccenic acid (11-octadecenoic acid)
+Vlmva*lip33*OCCCCC/3=O02223valeric acid
Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+11HOLaunsulip147*1OCCCCCCCCCCC^XC/5O*3/3=O02222222221311-hydroxy-dodecanoic acid
+13HOBehnsulip85*1OCCCCCCCCCCCCC^XCCCCCCCCC/15O*3/3=O022222222222122222222313-hydroxy-docosanoic acid
+15,16HOPamnsulip85*1OCCCCCCCCCCCCCCC^XCO*16/17O*15/3=O022222222222221215,16-dihydroxy-hexadecanoic acid
+15HOPamnsulip53*1OCCCCCCCCCCCCCCCC/17O*15/3=O022222222222221315-hydroxy-hexadecanoic acid
+17HOBehnsulip88*1OCCCCCCCCCCCCCCCCC^XCCCCC/15O*3/3=O022222222222222212222317-hydroxy-docosanoic acid
+17HOC18={?,?}nsulip42@C18{=,=}0???????????????1317-hydroxy-octadecadienoic acid
+17HOC18={?}nsulip00@C18{=}0???????????????1317-hydroxy-octadecenoic acid
+17HOOlensulip31279*1OCCCCCCCCC=^ZCCCCCCCC^XC/19O*17/3=O02222222112222221317-hydroxy-cis-9-octadecenoic acid
+17HOStensulip2810*1OCCCCCCCCCCCCCCCC^XCC/19O*17/3=O02222222222222221317-hydroxy-stearic acid
+18HOOlensu*lip63*1OCCCCCCCCC=^ZCCCCCCCCC/20O*18/3=O02222222112222222218-hydroxy-cis-9-octadecenoic acid
+18HOStensu*lip21*1OCCCCCCCCCCCCCCCCCC/20O*18/3=O02222222222222222218-hydroxy-stearic acid
+2,15,16HOPamnsulip147*1OCC^XCCCCCCCCCCCCC^XCO*16/17O*15/4O*2/3=O01222222222222122,15,16-trihydroxy-hexadecanoic acid
+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
+2,4HOButnsulip135*1OCC^XCCO*4/4O*2/3=O01222,4-dihydroxybutanoic acid (3d-glycero-tetronic acid)
+27HOMonnsulip239*1OCCCCCCCCCCCCCCCCCCCCCCCCCCC^XC/29O*27/3=O022222222222222222222222221327-hydroxy-octacosanoic acid
+27oxoMonnsu*lip22*OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/29=O/3=O022222222222222222222222220327-oxo-octacosanoic acid
+2HOAchnsulip22*1OCC^XCCCCCCCCCCCCCCCCCC/4O*3/3=O012222222222222222232-hydroxy-icosanoic acid
+2HOC13nsulip31*1OCC^XCCCCCCCCCCC/4O*3/3=O01222222222232-hydroxy-tridecanoic acid
+2HOC15nsulip74*1OCC^XCCCCCCCCCCCCC/4O*3/3=O0122222222222232-hydroxy-pentadecanoic acid
+2HOC16={t3}nsulip3513*1OC^XCC=^ECCCCCCCCCCCCC/4O*2/3=O01112222222222232-hydroxy-trans-3-hexadecenoic acid
+2HOC18={t3}nsulip5818*1OCC^XC=^ECCCCCCCCCCCCCCC/4O*2/3=O0111222222222222232-hydroxy-trans-3-octadecenoic acid
+2HOGltnsu 11*1OCC^XCCCO*5/7=O/4O*2/3=O012202-hydroxyglutaric acid
+2HOLaunsulip5631*1OCC^XCCCCCCCCCC/4O*2/3=O0122222222232-hydroxy-dodecanoic acid
+2HOLignsulip5616*1OCC^XCCCCCCCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222222222232-hydroxy-tetracosanoic acid
+2HOMarnsulip33*1OCC^XCCCCCCCCCCCCCCC/4O*3/3=O012222222222222232-hydroxy-margaric acid
+2HOMyrnsulip5617*1OCC^XCCCCCCCCCCCC/4O*2/3=O012222222222232-hydroxy-tetradecanoic acid
+2HOPamnsulip13935*1OCC^XCCCCCCCCCCCCCC/4O*2/3=O01222222222222232-hydroxy-hexadecanoic acid
+2HOStensulip10232*1OCC^XCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222232-hydroxy-stearic acid
+2HOSucnsu 84*1OCC^XCCO*4/6=O/4O*2/3=O0120malic acid (2-hydroxysuccinic acid)
+2NBznsu* 11*7OC(CC^ECC^ZCC^Z$4)/5N*2/3=O00111102-aminobenzoic acid (anthranilic 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 73AxXxA_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*lip65*1OCCC^XCC^XC/7O*5/5O*3/3=O0212133,5-dihydroxyhexanoic acid
+3HO2,3MePro-5-oxonsu 44AaXdA-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
+3HOAchnsulip185*1OCCC^XCCCCCCCCCCCCCCCCC/5O*3/3=O021222222222222222233-hydroxy-icosanoic acid
+3HOaiVlnsulip31*OCC^XCC/3=O/4C/5O*3011333S-hydroxy-anteisovaleric acid (2-methyl-butyric acid)
+3HOBehnsulip21*1OCCC^XCCCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222222233-hydroxy-docosanoic acid
+3HOButnsulip291143*1OCCC^XC/5O*3/3=O02133-hydroxybutanoic acid
+3HOC13nsulip63*1OCCC^XCCCCCCCCCC/5O*3/3=O02122222222233-hydroxy-tridecanoic acid
+3HOC14={c4}nsulip54*1OCCC^XC=^XCCCCCCCCCC/5O*3/3=O021222222222233-hydroxy-tetradec-4Z-enoic acid
+3HOC15nsulip22*1OCCC^XCCCCCCCCCCCC/5O*3/3=O0212222222222233-hydroxy-pentadecanoic acid
+3HODconsulip20777*1OCCC^XCCCCCCC/5O*3/3=O02122222233-hydroxy-decanoic acid
+3HOHxonsulip117*1OCCC^XCCC/5O*3/3=O0212233-hydroxy-hexanoic acid
+3HOiC13nsulip64*1OCCC^XCCCCCCCCC/13C/5O*3/3=O02122222221333-hydroxy-iso-tridecanoic acid
+3HOiC15nsulip118*1OCCC^XCCCCCCCCCCC/15C/5O*3/3=O0212222222221333-hydroxy-iso-pentadecanoic acid
+3HOiMarnsulip4719*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
+3HOLaunsulip326103*1OCCC^XCCCCCCCCC/5O*3/3=O0212222222233-hydroxy-dodecanoic acid
+3HOMarnsulip155*1OCCC^XCCCCCCCCCCCCCC/5O*3/3=O021222222222222233-hydroxy-heptadecanoic acid
+3HOMyrnsulip1177218*1OCCC^XCCCCCCCCCCC/5O*3/3=O021222222222233-hydroxy-tetradecanoic acid
+3HOOconsulip117*1OCCC^XCCCCC/5O*3/3=O021222233-hydroxy-octanoic acid
+3HOPamnsulip29464*1OCCC^XCCCCCCCCCCCCC/5O*3/3=O02122222222222233-hydroxy-hexadecanoic acid
+3HOPronsu*lip11*1OCCCO*3/3=O022beta-lactic acid (3-hydroxypropanoic acid)
+3HOStensulip10323*1OCCC^XCCCCCCCCCCCCCCC/5O*3/3=O0212222222222222233-hydroxy-stearic acid
+4HOaiHxonsulip00*1OCCC^XC^XC/6O*4/5C/3=O0211334-hydroxy-3-methyl-pentanoic acid
+4HOButnsu*lip33*1OCCCCO*4/3=O02224-hydroxybutanoic acid
+4HOBznsu* 21*7OC(CC^ZCC^ECC^Z$4)/7O*4/3=O01101104-hydroxybenzoic acid (p-hydroxybenzoic)
+4NBznsu* 11*7OC(CC^ZCC^ECC^Z$4)/7N*4/3=O01101104-aminobenzoic acid
+9b1SphdC19nsu*sph8414*1OCCCC=^ECCCC=^ECCCCCCCCCC/11C/5O*3/4N*22111122102222222233(4E,8E)-9-methyl-4,8-sphingadienine-C18
+Aepnsu* 226*1OPCCN*3/3O/3=O0222-amino-ethylphosphonic acid
+Alansupep437125A2m_2*N013alanine
+alloInonsu*ino00112222111111allo-inositol (cis-1,2-trans-3,4,5,6-cyclohexanehexol)
+Apigeninnsu* 87@apigenin~00100101000110115,7,4'-trihydroxyflavone (atom 1 is O)
+Asnnsupep7752A2dA_2*N_4*N0120asparagine
+Aspnsupep66A2dA_2*N0120aspartic acid
+aThrnsupep116A22m_2*N0113allothreonine (2S,3S)
+Cnsu* 21*OCO*/3=O carbonic acid
+Cafnsu* 33*9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8O*3/3=O010011110caffeic acid (E-3-(3,4-dihydroxyphenyl)-2-propenoic)
+CERnsu*lip1911@CERAMIDE superclass: ceramide (N-acylated sphyngoid)
+CetEtNnsu 22*1OCCNC^XCO*3/7=O/6C221302-(1-carboxyethylamino)ethanol [N-(2-hydroxyethyl)alanine]
+Chonsu* 11537*OCCNC/5C/5C22?choline (2-(trimethylammonio)ethanol)
+Cinnsu* 73*OCC=^EC(CC^ZCC^ZCC^Z$4)/3=O011111110cinnamic acid (E-3-phenylprop-2-enoic)
+cis-Sphnsu*sph00*1OCC^SC^RC=^ZCCCCCCCCCC/5O*3/4N*2 any cis-sphingenine (2S,3R,4Z-2-amino-4-en-1,3-diol) (4Z-sphingenine)
+cis-SphC16nsu*sph00*1OCC^SC^RC=^ZCCCCCCCCCCCC/5O*3/4N*22111122222222223cis-hexadecasphingosine
+cis-SphC20nsu*sph00*1OCC^SC^RC=^ZCCCCCCCCCCCCCCCC/5O*3/4N*221111222222222222223cis-icosasphingosine
+cis-SphC22nsu*sph00*1OCC^SC^RC=^ZCCCCCCCCCCCCCCCCCC/5O*3/4N*22111122222222222222223cis-sphingosine C22
+cisInonsu*ino00111111111111cis-inositol (cis-1,2,3,4,5,6-cyclohexanehexol)
+Cyanidinnsu* 11@cyanidin~00010101000100113,3',4',5,7-pentahydroxyflavylium (atom 1 is O)
+Cysnsupep195A2h_2*N_3*S012cysteine
+epiInonsu*ino00122222111111epi-inositol (cis-1-trans-2,3,4,5,6-cyclohexanehexol)
+EtNnsu* 707284*1OCCN*2222-aminoethanol (ethanolamine)
+Gcnsu*lip115*1OCCO*2/3=O02glycolic acid (2-hydroxyacetic acid)
+Glnnsupep66A2ddA_2*N_5*N01220glutamine
+Gltnsu* 00*OCCCCCO*/7=O/3=O02220glutaric acid (HOOC-CH2-CH2-CH2-COOH)
+Glunsupep1911A2ddA_2*N01220glutamic acid
+Glynsu*pep7835Ah_2*N02glycine
+GroAnsulip3725A2h012glyceric acid (2,3-dihydroxypropanoic acid). WURCS is for 1-O(C=O)-linked Lac
+HSernsupep11A2dh_2*N0122homoserine
+iGlnnsupep11Add2A_4*N_5*N02210isoglutamine
+Ilensupep11A2ddm_2*N_3*C011233isoleucine
+INOnsu* 102QQQQQQ superclass: any inositol
+Kaempferolnsu* 55@kaempferol~00000101000110113,5,7,4'-tetrahydroxyflavone (atom 1 is O)
+Lacnsulip14591*1OCC^XO*2/4C/3=O013lactic acid (2-hydroxypropanoic acid) (substituent for 2-ether: 1-carboxyethyl). WURCS is for 1-O-linked Lac
+Leunsupep84A2ddm_2*N_4*C012133leucine
+LIPnsu*lip1282190A superclass: lipid residue
+Lysnsupep3315A2dddh_2*N_6*N012222lysine
+Malnsu* 126*OCCCO*/5=O/3=O020malonic acid (HOOC-CH2-COOH)
+mPmN2nsu*pep95A2ddd1A_2*N_6*N0122210meso-diaminopimelic acid (HOOC-(S)CH(NH2)-CH2-CH2-CH2-(R)CH(NH2)-COOH)
+mucoInonsu*ino00112112111111muco-inositol (cis-1,2,4,5-trans-3,6-cyclohexanehexol)
+Mycolicnsu*lip1918*1OCC^XC^XCCCCCCCCCCCCCCC/5O*3/4CCCCCCCCCCCCCC/3=O01122222222222222322222222222223corynomycolic acid (C32)
+myoInonsu*ino309123111212111111myo-inositol (cis-1,2,3,5-trans-4,6-cyclohexanehexol) [2OH ax, other OH eq]
+Myricetinnsu* 11@myricetin~00000101000100013,5,7,3',4',5'-hexahydroxyflavone (atom 1 is O)
+neoInonsu*ino00111222111111neo-inositol (cis-1,2,3-trans-4,5,6-cyclohexanehexol)
+Nlensupep00A2dddm_2*N012223norleucine
+nucAnsu* 6111a222h-1b_1-4_1*(NC^ZCC^ENC^ZN$3/4N^ZC$2)/5N_5*OPO/3O/3=O1111210001adenosine (A, bDRibf + 6-aminopurine)
+nucCnsu* 197a222h-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* 153ad22h-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* 137ad22h-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* 407a222h-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=O1111200013thymidine (T, bDRibf + 5-methyluracil)
+nucUnsu* 4016a222h-1b_1-4_1*NCNCC=^ZC$2/5=O/3=O_5*OPO/3O/3=O111120011uridine (U, bDRibf + 2-oxy-4-oxy-pyrimidine)
+Nvansupep00A2ddm_2*N01223norvaline
+Ornnsupep52A2ddh_2*N_5*N01222ornithine
+Orsnsu* 1513@orsellinic~001010032,4-dihydroxy-6-methylbenzoic acid (orsellinic acid), carboxyl group is C7
+Pnsu* 49941296*OPO*/3O/3=O phosphoric acid
+Phensupep53A2_2*N_2*C(CC^ZCC^ZCC^Z$3)012011111phenylalanine
+phSphnsu*sph42*1OCC^SC^SC^RCCCCCCCCCC/6O*4/5O*3/4N*2 any phytosphingosine (2S,3S,4R-2-amino-1,3,4-triol)
+phSphC18nsu*sph6621*1OCC^SC^SC^RCCCCCCCCCCCCCC/6O*4/5O*3/4N*2211122222222222223phytosphingosine
+phSphC20nsu*sph123*1OCC^SC^SC^RCCCCCCCCCCCCCCCC/6O*4/5O*3/4N*221112222222222222223icosaphytosphingosine
+phSphC22nsu*sph00*1OCC^SC^SC^RCCCCCCCCCCCCCCCCCC/6O*4/5O*3/4N*22111222222222222222223phytosphingosine C22
+Plynsupep00A2dddh_2*N_6*NCC^RC^RCC=^ZN$4/5C/3=O012222011213pyrrolysine (N6-{[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}-lysine)
+Pronsupep42A2ddh_2-5*N*01222proline
+Pro-5-oxonsu 00AxddA_2-5*N*012205-oxoprolin (pyroglutamic acid, pidolic acid)
+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)
+Pyrnsu 434207*OC^XO*/3CO/6=O/3C003pyruvic acetal (2-oxopropanoic acid acetal)
+Quercetinnsu* 8524@quercetin~00000101000100113,5,7,3',4'-pentahydroxyflavone
+Ricnnsu*lip00*1OCCCCCCCCC=^ZCCCCC^RCCCC/14O*12/3=O022222221121222223ricinoleic acid (12-R-hydroxy-cis-9-octadecenoic acid)
+RR3HO3MePro-5-oxonsu* 21A26dA_2-5*N*_3*C010203(2R,3R)-3-hydroxy-3-methyl-5-oxoproline
+RRCetLysnsu*pep00A2dddh_2*N_6*NC^RCO/4=O/3C012222013(2R,8R)-N(epsilon)-(1-carboxyethyl)lysine (derived from D-Lys)
+RRDhpansu*lip22*1OC^RCC^RCC/4O*2/6O*4/3=O012132R,4R-dihydroxy-valeric acid (dihydroxypentanoic acid)
+RRSphnC16nsu*sph00*1OCC^RC^RCCCCCCCCCCCCC/5O*3/4N*22112222222222223RR-hexadecasphynganine (D-threo-2-amino-1,3-hexadecanediol)
+RRSphnC22nsu*sph00*1OCC^RC^RCCCCCCCCCCCCCCCCCCC/5O*3/4N*22112222222222222222223RR-sphinganine C22
+Snsu* 29747*OSO*/3=O/3=O sulfuric acid
+Salnsu* 31*7OC(CC^ECC^ZCC^Z$4)/5O*2/3=O00111102-hydroxybenzoic acid (salicylic acid)
+Secnsupep00A2h_2*N_3*Se012selenocysteine
+Sernsupep6933A2h_2*N012serine
+SPHnsu*lip53@SPHINGOID superclass: sphyngoid
+Sphnsu*sph2510*1OCC^SC^RC=^ECCCCCCCCCC/5O*3/4N*2 any sphingosine, any sphingenine (2S,3R,4E-2-amino-4-en-1,3-diol) (4E-sphingenine)
+SphC16nsu*sph53*1OCC^SC^RC=^ECCCCCCCCCCCC/5O*3/4N*22111122222222223hexadecasphingosine
+SphC18nsu*sph115*1OCC^SC^RC=^ECCCCCCCCCCCCCC/5O*3/4N*2211112222222222223sphingosine
+SphC22nsu*sph00*1OCC^SC^RC=^ECCCCCCCCCCCCCCCCCC/5O*3/4N*22111122222222222222223sphingosine C22
+Sphdnsu*sph2410*1OCC^SC^RC=^ECCCC=^ECCCCCC/5O*3/4N*2 any 4E,8E-sphingadienine
+SphdC18nsu*sph53*1OCC^SC^RC=^ECCCC=^ECCCCCCCCCC/5O*3/4N*22111122112222222234E,8E-sphingadienine
+Sphtnsu*sph62*1OCC^SC^RC=^ECCCC=^ECC=^ECCCC/5O*3/4N*2 any 4E,8E,10E-sphingatrienine
+SR9b1SphdC18nsu*sph11*1OCC^SC^RC=^ECCCC=^ECCCCCCCCC/11C/5O*3/4N*2211112210222222233(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C17
+SR9b1SphdC19nsu*sph13137*1OCC^SC^RC=^ECCCC=^ECCCCCCCCCC/11C/5O*3/4N*22111122102222222233(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C18
+SRCetLysnsu*pep155A1dddh_2*N_6*NC^RCO/4=O/3C012222013(2S,8R)-N(epsilon)-(1-carboxyethyl)lysine (derived from L-Lys)
+SRDhpansu*lip11*1OC^SCC^RCC/4O*2/6O*4/3=O012132S,4R-dihydroxy-valeric acid (dihydroxypentanoic acid)
+SRSphnC16nsu*sph00*1OCC^SC^RCCCCCCCCCCCCC/5O*3/4N*22112222222222223SR-hexadecasphynganine (D-erythro-2-amino-1,3-hexadecanediol)
+SRSphnC18nsu*sph64*1OCC^SC^RCCCCCCCCCCCCCCC/5O*3/4N*2211222222222222223SR-sphinganine (D-erythro-2-amino-1,3-octadecanediol)
+SRSphnC20nsu*sph00*1OCC^SC^RCCCCCCCCCCCCCCCCC/5O*3/4N*221122222222222222223SR-icosasphinganine (D-erythro-2-amino-1,3-icosanediol)
+SRSphnC22nsu*sph00*1OCC^SC^RCCCCCCCCCCCCCCCCCCC/5O*3/4N*22112222222222222222223SR-sphinganine C22
+SS3,5HOHexnsu*lip62*1OCCC^SCC^SC/7O*5/5O*3/3=O0212133S,5S-dihydroxyhexanoic acid
+SSCetLysnsu*pep11A1dddh_2*N_6*NC^RCO/4=O/3C012222013(2S,8S)-N(epsilon)-(1-carboxyethyl)lysine (derived from L-Lys)
+Sucnsu* 10624*OCCCCO*/6=O/3=O0220succinic acid (HOOC-CH2-CH2-COOH)
+Thrnsupep6425A21m_2*N0113threonine (2S,3R)
+Tyrnsupep33A2_2*N_2*C(CC^ZCC^ZCC^Z$3)/6O012011011tyrosine
+Valnsupep83A2dm_2*N_3*C01133valine

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 structural formula, list of isomers (if ambiguous), SMILES string(s), list of stereomers (if ambiguous, per isomer), 3D model(s), and atom coordinates.

An icon is a link to corresponding MonosaccharideDB entry.


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