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
+Glchexald3408917534?2122h111112glucose
+Acmva* 2475811469*OCC/3=O03acetic acid
+Manhexald240856178?1122h111112mannose
+Galhexald172819254?2112h111112galactose
+GlcNhexald133228202?2122h_2*N1111122-amino-2-deoxyglucose
+Rhahexald111516438?1122m1111136-deoxymannose (rhamnose)
+Pnsu* 101305477*OPO*/3O/3=O phosphoric acid
+Subst * 88278542@Subst alias: another substituent
+Memva*alk63213550*OC3methanol
+LDmanHephep*ald59712256?11221h1111112L-glycero-D-manno-heptose
+Kdooct*ket44152939A?d1122h00211112ketodeoxyoctonic acid (3-deoxy-D-manno-oct-2-ulosonic acid)
+Xylpenald43542535?212h11112xylose
+GlcAhexald36833227?2122A111110glucuronic acid
+Arapenald35181959?122h11112arabinose
+GalNhexald33442525?2112h_2*N1111122-amino-2-deoxygalactose
+Fuchexald25392004?2112m1111136-deoxygalactose (fucose)
+3HOMyrnsulip2329771*1OCCC^XCCCCCCCCCCC/5O*3/3=O021222222222233-hydroxy-tetradecanoic acid
+GalAhexald19971240?2112A111110galacturonic acid
+EtNnsu* 19881501*1OCCN*2222-aminoethanol (ethanolamine)
+Grotriol16491294h2h212glycerol
+LIPnsu*lip1227663A superclass: lipid residue
+DDmanHephep*ald1074704?11222h1111112D-glycero-D-manno-heptose
+Alansupep786559A2m_2*N013alanine
+Subst1 * 782695@Subst1 alias: another substituent
+Dighexald775354?d222m1211132,6-dideoxy-ribo-hexose (digitoxose, 2d6d-All = 2d6d-Alt), 3OMe-derivative = cymarose
+Neunon*ket689519A?d21122h_5*N002111112neuraminic acid (5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic)
+FucNhexald689563?2112m_2*N1111132-amino-2,6-dideoxygalactose
+Laumva*lip607485*OCCCCCCCCCCCC/3=O022222222223lauric acid (dodecanoic acid)
+3HOLaunsulip600261*1OCCC^XCCCCCCCCC/5O*3/3=O0212222222233-hydroxy-dodecanoic acid
+Fruhexket595384h?122h201112fructose (arabino-hex-2-ulose)
+Pyrnsu 594529*OC^XO*/3CO/6=O/3C003pyruvic acetal (2-oxopropanoic acid acetal)
+Myrmva*lip568463*OCCCCCCCCCCCCCC/3=O02222222222223myristic acid (tetradecanoic acid)
+Snsu* 567316*OSO*/3=O/3=O sulfuric acid
+Pammva*lip549459*OCCCCCCCCCCCCCCCC/3=O0222222222222223palmitic acid (hexadecanoic acid)
+Ara4Npenald537411?122h_4*N111124-amino-4-deoxyarabinose
+QuiNhexald499439?2122m_2*N1111132-amino-2,6-dideoxyglucose
+myoInonsu*ino496493111212111111myo-inositol (cis-1,2,3,5-trans-4,6-cyclohexanehexol) [2OH ax, other OH eq]
+3HOButnsulip471407*1OCCC^XC/5O*3/3=O02133-hydroxybutanoic acid
+GalNAhexald460342?2112A_2*N1111102-amino-2-deoxygalacturonic acid
+Rib-olpenol433366h222h21112ribitol
+6dTalhexald428331?1112m1111136-deoxytalose
+Oleanolicnsu* 419419@oleanolic~221012201021002201202233333033oleanolic/oleanic acid (olean-12-en-3b-ol-28-oic acid) (http://en.wikipedia.org/wiki/Oleanolic_acid)
+Ribpenald415351?222h11112ribose
+ManNhexald388303?1122h_2*N1111122-amino-2-deoxymannose
+Olihexald387260?d122m1211132,6-dideoxy-arabino-hexose (olivose, 2d-Qui = 2d-Rha), 3OMe-derivative = oleandrose
+Rha4Nhexald386186?1122m_4*N1111134-amino-4,6-dideoxymannose (perosamine if D)
+Sug sug381344 alias: any monosaccharide
+Subst2 * 348326@Subst2 alias: another substituent
+3HODconsulip347182*1OCCC^XCCCCCCC/5O*3/3=O02122222233-hydroxy-decanoic acid
+3HOPamnsulip326201*1OCCC^XCCCCCCCCCCCCC/5O*3/3=O02122222222222233-hydroxy-hexadecanoic acid
+Chonsu* 311234*OCCNC/5C/5C22?choline (2-(trimethylammonio)ethanol)
+Fernsu* 298244*9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8OC/3=O0100111103ferulic acid (E-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic)
+Apipenald295282?26h_3*CO11022apiose (3-C-(hydroxymethyl)-D/L-glycero-tetrose)
+pCoumnsu* 287241*9OCC=^EC(CC^ZCC^ECC^Z$4)/9O*4/3=O011011110p-coumaric acid (E-3-(4-hydroxyphenyl)-2-propenoic)
+NH2mva* 280184*N ammonia
+Cafnsu* 262260*9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8O*3/3=O010011110caffeic acid (E-3-(3,4-dihydroxyphenyl)-2-propenoic)
+QuiN4Nhexald258240?2122m_2*N_4*N1111132,4-diamino-2,4,6-trideoxyglucose (bacillosamine)
+3HOStensulip249124*1OCCC^XCCCCCCCCCCCCCCC/5O*3/3=O0212222222222222233-hydroxy-stearic acid
+Quercetinnsu* 249248@quercetin~00000101000100113,5,7,3',4'-pentahydroxyflavone
+Kaempferolnsu* 246246@kaempferol~00000101000110113,5,7,4'-tetrahydroxyflavone (atom 1 is O)
+Lacnsulip245238*1OCC^XO*2/4C/3=O013lactic acid (2-hydroxypropanoic acid) (substituent for 2-ether: 1-carboxyethyl). WURCS is for 1-O-linked Lac
+Quihexald235199?2122m1111136-deoxyglucose (quinovose) (3-O-methyl derivative = thevetose)
+Ammva* 233217*OCC/3=N13acetimidic acid (HO-C(=NH)-CH3)
+FucN4Nhexald225192?2112m_2*N_4*N1111132,4-diamino-2,4,6-trideoxygalactose
+Gallicnsu* 224135*7OC(CC^ECC^ZCC^E$4)/8O*5/7O*4/6O*3/3=O01000103,4,5-trihydroxybenzoic acid (gallic acid)
+ManN3NAhexald220153?1122A_2*N_3*N1111102,3-diamino-2,3-dideoxymannuronic acid
+Qui4Nhexald216212?2122m_4*N1111134-amino-4,6-dideoxyglucose (viosamine if D)
+Fomva* 216161*OC=O formic acid
+GlcN1Nhexald211211?2122h_1*N_2*N1111121,2-diamino-1,2-dideoxyglucose (used for N-glycans)
+Fuc3Nhexald210182?2112m_3*N1111133-amino-3,6-dideoxygalactose
+GlcN-olhexol208208h2122h_2*N2111122-amino-2-deoxyglucitol
+Qui3Nhexald206185?2122m_3*N1111133-amino-3,6-dideoxyglucose
+Asnnsupep206200A2dA_2*N_4*N0120asparagine
+Cmmva* 204176*NCO/3=O carbamic acid (H2N-COOH) (WURCS is given for N-linked Cm)
+ANY * 200111 superclass: any residue
+3,4,8HOPhetnsu* 199199*8OCC(CC^ECC^ECC^Z$4$5)/8O*4/7O*3010011223,4,8-trihydroxy-ethylbenzene (phenylethan-3,4,8-triol, hydroxytyrosol)
+SUG *sug198114 superclass: any monosaccharide
+Stemva*lip193156*OCCCCCCCCCCCCCCCCCC/3=O022222222222222223stearic acid (octadecanoic acid)
+Psenon*ket191181A?d22111m_5*N_7*N002111113pseudaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-manno-non-2-ulosonic)
+1dGlchexald191182d2122h2111121-deoxy-glucose (the same as linear form of 1,5-anhGlc-ol, which still has 1-5 cycle)
+CERnsu*lip190190@CERAMIDE superclass: ceramide (N-acylated sphyngoid)
+Ery-oltetol189189h22h2112erythritol
+GlcN3Nhexald186111?2122h_2*N_3*N1111122,3-diamino-2,3-dideoxyglucose
+GlcN3NAhexald185154?2122A_2*N_3*N1111102,3-diamino-2,3-dideoxyglucuronic acid
+Kooct*ket185185A?11122h00111112ketooctonic acid (D-glycero-D-talo-oct-2-ulosonic acid)
+ManNAhexald180154?1122A_2*N1111102-amino-2-deoxymannuronic acid
+Bzmva* 172149*OC(CC^ZCC^ZCC^Z$4)/3=O0111110benzoic acid
+Man-olhexol171165h1122h211112mannitol
+Abehex*ald171150?2d12m1121133,6-dideoxy-D-xylo-hexose (abequose), 3dFuc=3,6dGul
+2,4HOButnsulip16972*1OCC^XCCO*4/4O*2/3=O01222,4-dihydroxybutanoic acid (3d-glycero-tetronic acid)
+Sernsupep155127A2h_2*N012serine
+Glc-olhexol155154h2122h211112glucitol
+Colhex*ald15096?1d21m1121133,6-dideoxy-L-xylo-hexose (colitose), 3dFuc=3,6dGul
+Glynsu*pep140133Ah_2*N02glycine
+Murnon*ald140108?2122h_2*N_3*OC^RCO/4=O/3C1111121032-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose (muramic acid)
+INOnsu* 139137QQQQQQ superclass: any inositol
+Hederageninnsu* 138138@hederagenin~221012201021002201202223333033hederagenin (olean-12-en-3b,23-diol-28-oic acid), atom numbering: https://ars.els-cdn.com/content/image/1-s2.0-S0278691509001951-gr1.jpg
+Thrnsupep138125A21m_2*N0113threonine (2S,3R)
+phSphC18nsu*sph128128*1OCC^SC^SC^RCCCCCCCCCCCCCC/6O*4/5O*3/4N*2211122222222222223phytosphingosine
+Hephepsug12864 alias: heptose
+2HOLignsulip123123*1OCC^XCCCCCCCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222222222232-hydroxy-tetracosanoic acid
+Glunsupep121101A2ddA_2*N01220glutamic acid
+17HOOlensulip120120*1OCCCCCCCCC=^ZCCCCCCCC^XC/19O*17/3=O02222222112222221317-hydroxy-cis-9-octadecenoic acid
+Apigeninnsu* 117117@apigenin~00100101000110115,7,4'-trihydroxyflavone (atom 1 is O)
+Malnsu* 113112*OCCCO*/5=O/3=O020malonic acid (HOOC-CH2-COOH)
+SR9b1SphdC19nsu*sph112112*1OCC^SC^RC=^ECCCC=^ECCCCCCCCCC/11C/5O*3/4N*22111122102222222233(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C18
+Ara-olpenol104100h122h21112arabinitol
+Gal-olhexol100100h2112h211112galactitol
+Echinocysticnsu* 9999@echinocystic~221012201021002101202233333033echinocystic acid (olean-12-en-3b,16a-diol-28-oic acid)
+Sucnsu* 9780*OCCCCO*/6=O/3=O0220succinic acid (HOOC-CH2-CH2-COOH)
+2HOStensulip9797*1OCC^XCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222232-hydroxy-stearic acid
+Dcomva*lip9772*OCCCCCCCCCC/3=O0222222223capric acid (decanoic acid)
+2HOPamnsulip9696*1OCC^XCCCCCCCCCCCCCC/4O*2/3=O01222222222222232-hydroxy-hexadecanoic acid
+Cinnsu* 9289*OCC=^EC(CC^ZCC^ZCC^Z$4)/3=O011111110cinnamic acid (E-3-phenylprop-2-enoic)
+4dthrHex4enAhexald9189?12eEA1111004-deoxy-threo-hex-4-enuronic acid
+27HOMonnsulip8880*1OCCCCCCCCCCCCCCCCCCCCCCCCCCC^XC/29O*27/3=O022222222222222222222222221327-hydroxy-octacosanoic acid
+2HOLaunsulip8773*1OCC^XCCCCCCCCCC/4O*2/3=O0122222222232-hydroxy-dodecanoic acid
+GroAnsulip8686A2h012glyceric acid (2,3-dihydroxypropanoic acid). WURCS is for 1-O(C=O)-linked Lac
+ALKmva*alk8678@ALKYL superclass: alcohol residue (alkyl)
+Cyanidinnsu* 8686@cyanidin~00010101000100113,3',4',5,7-pentahydroxyflavylium (atom 1 is O)
+Tyvhex*ald8476?1d22m1121133,6-dideoxy-D-arabino-hexose (tyvelose), 3dRha=3,6dAlt
+Catalpolnsu* 8281@catalpol~1011111012catalpol aglycon (as in Pubchem, hydroxy function at 1,6,10
+Legnon*ket8280A?d21122m_5*N_7*N002111113legionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-galacto-non-2-ulosonic)
+Allylmva* 8181*OCC=C212allyl alcohol
+3HOiMarnsulip8145*1OCCC^XCCCCCCCCCCCCCC/17C/5O*3/3=O021222222222221333-hydroxy-iso-heptadecanoic acid
+Menthiafolicnsu 8156@menthiafolic~0012201233menthiafolic acid (6-hydroxy-2,6-dimethyl-octa-2E,7-dienoic acid), can be R/S at C6
+SoyasapogenolBnsu* 8080@soyasapogenol_B~221012201021002201202132333333soyasapogenol B (olean-12-en-3b,22b,24-triol)
+6dAlthexald7957?1222m1111136-deoxyaltrose
+aiVlmvalip7868*OCC^XCC/3=O/4C01233anteisovaleric acid (2-methyl-butyric acid)
+GlcNAhexald7870?2122A_2*N1111102-amino-2-deoxyglucuronic acid
+Lysnsupep7872A2dddh_2*N_6*N012222lysine
+Gcnsu*lip7856*1OCCO*2/3=O02glycolic acid (2-hydroxyacetic acid)
+Olemva*lip7664*OCCCCCCCCC=^ZCCCCCCCCC/3=O022222221122222223oleic acid (cis-9-octadecenoic acid)
+nucUnsu* 7676a222h-1b_1-4_1*NCNCC=^ZC$2/5=O/3=O_5*OPO/3O/3=O111120011uridine (U, bDRibf + 2-oxy-4-oxy-pyrimidine)
+Fuc4Nhexald7572?2112m_4*N1111134-amino-4,6-dideoxygalactose (thomosamine if D)
+ManAhexald7438?1122A111110mannuronic acid
+Protopanaxadiol20snsu* 7474@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
+Parhex*ald7267?2d22m1121133,6-dideoxy-D-ribo-hexose (paratose), 3dQui=3,6dAll
+Diosgeninnsu* 7171@diosgenin~221201211022012113313022123diosgenin (25R-spirost-5-en-3b-ol), atom numbering: https://www.mdpi.com/molecules/molecules-25-03546/article_deploy/html/images/molecules-25-03546-g001.png
+aThrnsupep7068A22m_2*N0113allothreonine (2S,3S)
+6dmanHephepald6951?1122dh11111226-deoxy-manno-heptose
+8eLegnon*ket6866A?d21121m_5*N_7*N0021111138-epilegionaminic (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-D-galacto-non-2-ulosonic)
+Polygalacicnsu* 6868@polygalacic~211012201021002101202223333033polygalacic acid (olean-12-en-2b,3b,16a,23-tetrol-28-oic acid), atom numbering: http://patentimages.storage.googleapis.com/EP2011517A1/imgf0003.png
+Jalnsu*lip6865*1OCCCCCCCCCCC^SCCCCC/13O*11/3=O0222222222122223jalapinolic acid (11S-hydroxy-hexadecanoic acid)
+Sinnsu* 6857*9OCC=^EC(CC^ECC^ZCC^E$4)/10OC/9O*4/8OC/3=O01000111033sinapic/sinapinic acid (E-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic)
+Glc1Shexald6767?2122m_1*S1111121-thioglucose (with C-SH bond)
+Luteolinnsu* 6666@luteolin~00100101000100115,7,3',4'-tetrahydroxyflavone (atom 1 is O)
+Ppmva* 6635*OCCC/3=O023propanoic acid
+Ocomva*lip6447*OCCCCCCCC/3=O02222223octanoic acid
+Phytmva*alk6332*OCCC^XCCCC^XCCCC^XCCCCC/5C/9C/13C/17C22122212221222133333phytanol (3,7,11,15-tetramethyl-hexadecanol)
+Steviolnsu* 6363@steviol~22201220102202202303steviol ((5b,8a,9b,10a,13a)-13-hydroxykaur-16-en-18-oic acid)
+2HOMyrnsulip6262*1OCC^XCCCCCCCCCCCC/4O*2/3=O012222222222232-hydroxy-tetradecanoic acid
+Mycolicnsu*lip6218*1OCC^XC^XCCCCCCCCCCCCCCC/5O*3/4CCCCCCCCCCCCCC/3=O01122222222222222322222222222223corynomycolic acid (C32)
+Tigmva*lip6157*OCC=^ECC/4C/3=O00133tiglic acid ((E)-2-methylbut-2-enoic acid)
+iButmva*lip5938*OCCC/4C/3=O0133isobutyric acid
+Hxomva*lip5939*OCCCCCC/3=O022223hexanoic acid
+GroNtriol5752h2h_2*N2122-amino-2-deoxyglycerol (2-aminopropane-1,3-diol). Always D.
+mPmN2nsu*pep5747A2ddd1A_2*N_6*N0122210meso-diaminopimelic acid (HOOC-(S)CH(NH2)-CH2-CH2-CH2-(R)CH(NH2)-COOH)
+LLmanHephep*ald5712?22111h1111112L-glycero-L-manno-heptose
+Prmva*alk5757*OCCC223propanol
+2HOC18={t3}nsulip5555*1OCC^XC=^ECCCCCCCCCCCCCCC/4O*2/3=O0111222222222222232-hydroxy-trans-3-octadecenoic acid
+Kdnnon*ket5544A?d21122h002111112ketodeoxynononic acid (3-deoxy-D-glycero-D-galacto-non-2-ulosonic)
+Phensupep5555A2_2*N_2*C(CC^ZCC^ZCC^Z$3)012011111phenylalanine
+SoyasapogenolAnsu* 5353@soyasapogenol_A~221012201021002201201132333333soyasapogenol A (olean-12-en-3b,21b,22b,24-tetrol)
+Glc1Nhexald5353?2122h_1*N1111121-amino-1-deoxyglucose (used for N-glycans)
+2,6dlyxHexhexald5146?d112m1211132,6-dideoxy-lyxo-hexose (2d-Fuc = 2d6d-Tal), D-form: oliose, 3OMe-derivative = diginose
+Orsnsu* 4938@orsellinic~001010032,4-dihydroxy-6-methylbenzoic acid (orsellinic acid), carboxyl group is C7
+Rhohex*ald4934?dd21m1221132,3,6-trideoxy-L-threo-hexose (rhodinose)
+3HOAchnsulip4926*1OCCC^XCCCCCCCCCCCCCCCCC/5O*3/3=O021222222222222222233-hydroxy-icosanoic acid
+Angmva*lip4845*OCC=^ZCC/4C/3=O00133angelic acid ((Z)-2-methylbut-2-enoic acid)
+3HO3MeGltnsu 4646*1OCCC^XCCO*5/7=O/5C/5O*3/3=O0202033-hydroxy-3-methylglutaric acid
+Etmva*alk4646*OCC23ethanol
+GulNAhexald4540?2212A_2*N1111102-amino-2-deoxyguluronic acid
+Althexald4545?1222h111112altrose
+Rha-olhexol4444h1122m2111136-deoxy-D-mannitol (D-rhamnitol?), 1-deoxy-D-mannitol (L-rhamnitol?)
+GulAhexald4430?2212A111110guluronic acid
+4HOBznsu* 4135*7OC(CC^ZCC^ECC^Z$4)/7O*4/3=O01101104-hydroxybenzoic acid (p-hydroxybenzoic)
+3dlyxHep-ulosarichepket4032A?d112A00211103-deoxy-lyxo-hept-2-ulosaric acid (Dha_A when D)
+Myricetinnsu* 3939@myricetin~00000101000100013,5,7,3',4',5'-hexahydroxyflavone (atom 1 is O)
+Thre-oltetol3939h12h2112threitol
+Subst3 * 3935@Subst3 alias: another substituent
+GulN3NAhexald3938?2212A_2*N_3*N1111102,3-diamino-2,3-dideoxyguluronic acid
+Cnsu* 395*OCO*/3=O carbonic acid
+Aepnsu* 3832*1OPCCN*3/3O/3=O0222-amino-ethylphosphonic acid
+6dAllhexald3838?2222m1111136-deoxyallose
+Etgdi*ol3831hh22ethylene glycol
+GalN3NAhexald3827?2112A_2*N_3*N1111102,3-diamino-2,3-dideoxygalacturonic acid
+Protopanaxatriol20snsu* 3838@20S-protopanaxatriol~22101120102110221330322103333320S-protopanaxatriol (dammar-24-en-3b,6a,12b,20S-tetrol)
+nucGnsu* 3737a222h-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)
+2,15,16HOPamnsulip3737*1OCC^XCCCCCCCCCCCCC^XCO*16/17O*15/4O*2/3=O01222222222222122,15,16-trihydroxy-hexadecanoic acid
+C18={?}mva*lip3736@C18{=}0????????????????3octadecenoic acid
+Marmva*lip3723*OCCCCCCCCCCCCCCCCC/3=O02222222222222223margaric acid (heptadecanoic acid)
+Sphnsu*sph3636*1OCC^SC^RC=^ECCCCCCCCCC/5O*3/4N*2 any sphingosine, any sphingenine (2S,3R,4E-2-amino-4-en-1,3-diol) (4E-sphingenine)
+Butmva*lip3636*OCCCC/3=O0223butyric acid
+Glycyrrheticnsu* 3636@glycerrhetic~221012201001002201202223333330enoxolone
+All1N5NAhexald3636?2222A_1*N_5*N1111101,5-diamino-1,5-deoxy-alluronic acid
+Sphdnsu*sph3535*1OCC^SC^RC=^ECCCC=^ECCCCCC/5O*3/4N*2 any 4E,8E-sphingadienine
+4HOButnsu*lip3535*1OCCCCO*4/3=O02224-hydroxybutanoic acid
+Man1Nhexald3434?1122h_1*N1111121-amino-1-deoxymannose
+Bnmva* 3434*OC(CC^ZCC^ZCC^Z$4)0111112benzoic alcohol
+C15mva*lip3326*OCCCCCCCCCCCCCCC/3=O022222222222223pentadecanoic acid
+HEPhep*sug3323QQQQQQQ superclass: heptose
+DDgalHephep*ald3213?21122h1111112D-glycero-D-galacto-heptose
+2HOBehnsulip3232*1OCC^XCCCCCCCCCCCCCCCCCCCC/4O*2/3=O01222222222222222222232-hydroxy-docosanoic acid
+6dxylHexN-4-ulohexald3232?21U2m_2*N1110132-amino-2,6-dideoxy-xylo-hexos-4-ulose
+PmN2nsu*pep3222A2ddd2A_2*N_6*N0122210diaminopimelic acid (HOOC-(R)CH(NH2)-CH2-CH2-CH2-(R)CH(NH2)-COOH)
+Xulpenket3221h?12h20112threo-pent-2-ulose (xylulose)
+9b1SphdC19nsu*sph3231*1OCCCC=^ECCCC=^ECCCCCCCCCC/11C/5O*3/4N*22111122102222222233(4E,8E)-9-methyl-4,8-sphingadienine-C18
+2,5anhManhexald3131A1122h_2-51111122,5-anhydromannose
+Rhonoctald3126?d112m_3*NC/2C121113333-dimethylamino-2,3,6-trideoxy-lyxo-hexose (rhodosamine)
+Gro-altriopn3131o2h112glyceraldehyde
+Linmva*lip3121*OCCCCCCCCC=^ZCCC=^ZCCCCCC/3=O/022222221121122223linoleic acid (cis,cis-9,12-octadecadienoic acid)
+3oxoMyrmva*lip3023*OCCCCCCCCCCCCCC/5=O/3=O020222222222233-oxo-tetradecanoic acid
+1,4dxylHexhexald3030d21d2h2112121,4-dideoxy-xylo-hexose
+3HOC13nsulip3010*1OCCC^XCCCCCCCCCC/5O*3/3=O02122222222233-hydroxy-tridecanoic acid
+GlcN-onichexopn2929A2122h_2*N0111122-amino-2-deoxygluconic acid
+Vacmva*lip2929*OCCCCCCCCCCC=^XCCCCCCC/3=O022222222211222223vaccenic acid (11-octadecenoic acid)
+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)
+18HOOlensu*lip2819*1OCCCCCCCCC=^ZCCCCCCCCC/20O*18/3=O02222222112222222218-hydroxy-cis-9-octadecenoic acid
+17HOStensulip2826*1OCCCCCCCCCCCCCCCC^XCC/19O*17/3=O02222222222222221317-hydroxy-stearic acid
+2,5anhMan-olhexol2828h1122h_2-52111122,5-anhydromannitol
+Crtmva*lip2825*OCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222223cerotic acid (hexacosanoic acid)
+1dOlihexald2828dd122m2211131,2,6-trideoxy-arabino-hexose (olivose in C-glycoside)
+Yeroct*ald2725?2d12m_4*1C^SC/2O*2112013133,6-dideoxy-4-C-[(S)-1-hydroxyethyl]-D-xylo-hexose (yersiniose or yersiniose A)
+3HOiC15nsulip2724*1OCCC^XCCCCCCCCCCC/15C/5O*3/3=O0212222222221333-hydroxy-iso-pentadecanoic acid
+Aspnsupep2626A2dA_2*N0120aspartic acid
+Hexhexsug2615 alias: hexose
+3HOiC13nsulip2614*1OCCC^XCCCCCCCCC/13C/5O*3/3=O02122222221333-hydroxy-iso-tridecanoic acid
+Caryosenon*ald266?1d61215m1120111034,8-cyclo-3,9-dideoxy-L-erythro-D-ido-nonose
+AltAhexald2626?1222A111110altruronic acid
+AltNAhexald2619?1222A_2*N1111102-amino-2-deoxyaltruronic acid
+Caryophyllosedod*ald2518?2d21d222m_4*1C^RC/2O*21120121113133,6,10-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-erythro-D-gulo-decose
+1dEry-oltetol2525m22h31121-deoxyerythritol
+Kdo8Noct*ket2424A?d1122h_8*N002111128-amino-3,8-dideoxy-D-manno-oct-2-ulosonic acid
+3HOHxonsulip2424*1OCCC^XCCC/5O*3/3=O0212233-hydroxy-hexanoic acid
+IdoAhexald2424?1212A111110iduronic acid
+2HOSucnsu 2423*1OCC^XCCO*4/6=O/4O*2/3=O0120malic acid (2-hydroxysuccinic acid)
+Tyrnsupep2424A2_2*N_2*C(CC^ZCC^ZCC^Z$3)/6O012011011tyrosine
+nucdTnsu* 2424ad22h-1b_1-4_1*NCNCC=^ZC$2/6C/5=O/3=O_5*OPO/3O/3=O1211200013deoxythymidine (dT, bD2dRibf + 5-methyluracil)
+nucAnsu* 2424a222h-1b_1-4_1*(NC^ZCC^ENC^ZN$3/4N^ZC$2)/5N_5*OPO/3O/3=O1111210001adenosine (A, bDRibf + 6-aminopurine)
+1dAllhexald2424d2222h2111121-deoxy-allose
+iC15mva*lip2424*OCCCCCCCCCCCCCC/15C/3=O022222222222133iso-pentadecanoic acid
+3HOOconsulip2323*1OCCC^XCCCCC/5O*3/3=O021222233-hydroxy-octanoic acid
+Udomva*lip2314*OCCCCCCCCCCC/3=O02222222223undecanoic acid
+Pau4CHeoctald2323?d112m_4*1CC/2O*2121013132,6-dideoxy-4C-(1-hydroxyethyl)-lyxo-hexose (paulomycose, default: L, stereo at C7 unknown)
+3,6anhGalhexald2313?2112h_3-61111123,6-anhydro-galactose
+HEXhex*sug239QQQQQQ superclass: hexose
+Lyxpenald2315?112h11112lyxose
+RhaN3Nhexald2222?1122m_2*N_3*N1111132,3-diamino-2,3,6-trideoxymannose
+Valnsupep228A2dm_2*N_3*C01133valine
+dPammva*lip2222*OCCCCCCCCC=^XCCCCCCC/3=O0222222211222123palmitoleic acid (hexadecenoic acid)
+phSphnsu*sph2222*1OCC^SC^SC^RCCCCCCCCCC/6O*4/5O*3/4N*2 any phytosphingosine (2S,3S,4R-2-amino-1,3,4-triol)
+cVacmva*lip2121*OCCCCCCCCCCC=^ZCCCCCCC/3=O022222222211222223cis-vaccenic (cis-11-octadecenoic) acid
+Undmva*alk2121*OCCCCCCCCCCC22222222223undecanol
+2HOC16={t3}nsulip2121*1OC^XCC=^ECCCCCCCCCCCCC/4O*2/3=O01112222222222232-hydroxy-trans-3-hexadecenoic acid
+DL3,9dgalNon5N7N-ulosonicnon*ket2121A?d12212m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-galacto-non-2-ulosonic acid
+Ligmva*lip2121*OCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222223lignoceric acid (tetracosanoic acid)
+iPammva*lip2014*OCCCCCCCCCCCCCCC/16C/3=O0222222222222133isopalmitic acid
+Fmva* 203*F fluorine
+Solanidinensu* 2020@solanidine~221201211022012113313122123solanidine (solanid-5-en-3b-ol), atom numbering: https://ars.els-cdn.com/content/image/1-s2.0-S0735821098800046-fx1.gif
+aLnnmva*lip2013*OCCCCCCCCC=^XCCC=^XCCC=^XCCC/3=O/022222221121121123(9,12,15)-linolenic acid (9,12,15-octadecatrienoic acid)
+C18={t9}mva*lip1917*OCCCCCCCCC=^ECCCCCCCCC/3=O/022222221122222223trans-9-octadecenoic acid
+Dodmva*alk1919*OCCCCCCCCCCCC222222222223dodecanol
+Salnsu* 1919*7OC(CC^ECC^ZCC^Z$4)/5O*2/3=O00111102-hydroxybenzoic acid (salicylic acid)
+iVlmva*lip1919*OCCCC/5C/3=O02133isovaleric acid
+15,16HOPamnsulip1919*1OCCCCCCCCCCCCCCC^XCO*16/17O*15/3=O022222222222221215,16-dihydroxy-hexadecanoic acid
+GlcN6Nhexald1916?2122h_2*N_6*N1111122,6-diamino-2,6-dideoxyglucose
+6dTalNhexald1818?1112m_2*N1111132-amino-2,6-dideoxytalose (pneumosamine if D)
+Mur-lactamnon*ald1813?2122h_2*N_3*OC^RCO/4=O/3C_2-81111121032-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucose d-lactam (muramic acid lactam)
+Ery-onictetopn1818A22h0112erythronic acid
+6dGulhexald1816?2212m1111136-deoxygulose
+DLglcHephep*ald1818?12112h1111112D-glycero-L-gluco-heptose
+Hmnsu* 182*OCO*2hydroxymethyl substituent (formic acetal
+2HOCrtnsulip1817*1OCC^XCCCCCCCCCCCCCCCCCCCCCCCC/4O*3/3=O012222222222222222222222232-hydroxy-hexacosanoic acid
+4dthrHex4enNAhexald1818?12eEA_2*N1111002-amino-2,4-dideoxy-threo-hex-4-enuronic acid
+Bumva*alk1818*OCCCC2223butanol
+C16={?,?}mva*lip1715@C16{=,=}0??????????????3hexadecadienoic acid
+Ocmva*alk1717*OCCCCCCCC22222223octanol
+Hypnsupep177A2dxh_2-5*N*01212hydroxyproline (two isomers)
+Allhexald1716?2222h111112allose
+Glc3NAhexald1710?2122A_3*N1111103-amino-3-deoxyglucuronic acid
+3HO2,3MePro-5-oxonsu 1616AaXdA-2x_2-5*N*_2*C_3*C00020333-hydroxy-2,3-dimethyl-5-oxoproline (RR, SS, RS, SR = unknown)
+3HOiVlnsu*lip1616*1OCCCC/5C/5O*3/3=O020333-hydroxy-isovaleric acid
+6daltHephepald1615?1222dh11111226-deoxy-altro-heptose
+4daraHexhexald1610?12d2h1112124-deoxy-arabino-hexose
+Man-onichexopn1616A1122h011112mannonic acid
+Aschex*ald1615?2d11m1121133,6-dideoxy-L-arabino-hexose (ascarilose), 3dRha=3,6dAlt
+4eLegnon*ket1515A?d11122m_5*N_7*N0021111134-epilegionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-talo-non-2-ulosonic)
+aiC15mvalip1510*OCCCCCCCCCCCC^XCC/14C/3=O022222222221233anteiso-pentadecanoic acid
+phSphC20nsu*sph1414*1OCC^SC^SC^RCCCCCCCCCCCCCCCC/6O*4/5O*3/4N*221112222222222222223icosaphytosphingosine
+17HOLinmvalip1414*OCCCCCCCCC=^ZCCC=^ZCCCCCC/19O*17/3=O/02222222112112221317-hydroxy-linoleic acid (17-hydroxy-9Z,12Z-octadecadienoic acid)
+6dgulHephepald1410?2212dh11111226-deoxy-gulo-heptose
+RhaNhexald1413?1122m_2*N1111132-amino-2,6-dideoxymannose
+Cysnsupep1414A2h_2*N_3*S012cysteine
+FucN-olhexol1414h2112m_2*N2111132-amino-2,6-dideoxy-D-galactitol / 5-amino-1,5-dideoxy-D-galactitol (D/L, respectively)
+Oli3Nhexald137?d121m_3*N1211133-amino-2,3,6-trideoxy-arabino-hexose (3-amino-olivose, acosamine when L)
+Dcemva*lip1313*OCCCCCCCCC=C0222222212dec-9-enoic acid
+2dmyoIno3Nnsuino13131d1212_3*N1211112,3-dideoxy-3-amino-myo-inositol
+cdPammva*lip1312*OCCCCCCCCC=^ZCCCCCCC/3=O0222222211222223cis-palmitoleic (hexadecenoic) acid
+aiMarmvalip137*OCCCCCCCCCCCCCCC^XCC/16C/3=O02222222222221233anteiso-heptadecanoic acid
+C12={5}mva*lip1312*OCCCCC=^XCCCCCCC/3=O022211222223dodec-5-enoic acid
+15HOPamnsulip1313*1OCCCCCCCCCCCCCCCC/17O*15/3=O022222222222221315-hydroxy-hexadecanoic acid
+Rha3Nhexald1313?1122m_3*N1111133-amino-3,6-dideoxymannose (mycosamine if D)
+nucTnsu* 1313a222h-1b_1-4_1*NCNCC=^ZC$2/6C/5=O/3=O_5*OPO/3O/3=O1111200013thymidine (T, bDRibf + 5-methyluracil)
+2,5anhTalhexald1313A1112h_2-51111122,5-anhydrotalose
+Behmva*lip1312*OCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222223behenic acid (docosanoic)
+iGlnnsupep1310Add2A_4*N_5*N02210isoglutamine
+1dArapenald1313d122h211121-deoxy-arabinose
+Kdo-oloct*ol1313Axd1122h012112123-deoxy-D-glycero-D-galacto/talo-octonic acid (Kdo alditol, any of the two isomers)
+C14={7}mva*lip1312*OCCCCCCC=^XCCCCCCC/3=O02222211222223tetradec-7-enoic acid
+Phthimva*lip123*OCC=^XCC^XCCCCCCCCCCCCCCCCCCCC/8C/6C/4C/3=O001121222222222222222223333+C27-phthienoic acid (2,4,6-trimethyl-tetracos-2-enoic acid)
+13HOBehnsulip1212*1OCCCCCCCCCCCCC^XCCCCCCCCC/15O*3/3=O022222222222122222222313-hydroxy-docosanoic acid
+GalN-olhexol1212h2112h_2*N2111122-amino-2-deoxygalactitol
+2b14b1Pammva*lip125*OCC^XCC^XCCCCCCCCCC/6C/4C/3=O01212222222223332,4-dimethyl-tetradecanoic acid
+4deryHex4enAhexald1212?22eEA1111004-deoxy-erythro-hex-4-enuronic acid
+chiroInonsuino1212112122111111chyro-inositol (D-form: cis-1,2,4-trans-3,5,6-cyclohexanehexol)
+3HOiMyrnsulip126*1OCCC^XCCCCCCCCCC/14C/5O*3/3=O021222222221333-hydroxy-iso-tetradecanoic acid
+Boihexald1212?d212m1211132,6-dideoxy-xylo-hexose (boivinose, 2d6d-Gul = 2d6d-Ido), 3OMe-derivative = sarmentose
+3HOMarnsulip1210*1OCCC^XCCCCCCCCCCCCCC/5O*3/3=O021222222222222233-hydroxy-heptadecanoic acid
+3,4HOButnsulip1212*1OCCC^XCO*4/5O*3/3=O02123,4-dihydroxybutanoic acid
+Achmva*lip1111*OCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222223arachidic acid (icosanoic acid)
+S6Quihexald1111?2122m_6*SO/2=O/2=O1111126-sulphoquinovose (with C-S bond)
+3HOPronsu*lip119*1OCCCO*3/3=O022beta-lactic acid (3-hydroxypropanoic acid)
+Decmva*alk1111*OCCCCCCCCCC2222222223decanol
+9HObDconsulip1111*1OCCCCCCCC^XC/11O*9/?C0????????2branched 9-hydroxy-decanoic acid
+SRSphnC18nsu*sph1111*1OCC^SC^RCCCCCCCCCCCCCCC/5O*3/4N*2211222222222222223SR-sphinganine (D-erythro-2-amino-1,3-octadecanediol)
+2,3HOBznsu* 119*7OC(CC^ZCC^ZCC^Z$4)/6O*3/5O*2/3=O00011102,3-dihydroxybenzoic acid
+6dribHex-3-ulohexald1111?2U22m1101136-deoxy-ribo-hexos-3-ulose
+3HOC15nsulip1111*1OCCC^XCCCCCCCCCCCC/5O*3/3=O0212222222222233-hydroxy-pentadecanoic acid
+Thre-onictetopn1111A12h0112threonic acid
+Prcatnsu* 119*7OC(CC^ECC^ECC^Z$4)/7O*4/6O*3/3=O01001103,4-dihydroxybenzoic acid (protocatechuic acid)
+SphC18nsu*sph1010*1OCC^SC^RC=^ECCCCCCCCCCCCCC/5O*3/4N*2211112222222222223sphingosine
+4,7anhKdooct*ket1010A?d1122h_4-7002111124,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
+Leunsupep106A2ddm_2*N_4*C012133leucine
+3HOC14={c4}nsulip1010*1OCCC^XC=^XCCCCCCCCCC/5O*3/3=O021222222222233-hydroxy-tetradec-4Z-enoic acid
+17HOBehnsulip1010*1OCCCCCCCCCCCCCCCCC^XCCCCC/15O*3/3=O022222222222222212222317-hydroxy-docosanoic acid
+10b1C19mvalip109*OCCCCCCCCCC^XCCCCCCCC/12C/3=O0222222221222222233tuberculostearic acid (10-methyl-octadecanoic acid)
+DDHephep*sug109 alias: DD-heptose
+Erwiniosedec*ald109?2d21d2m_4*1C^RC/2O*211201213133,6,8-trideoxy-4-C-[(R)-1-hydroxyethyl]-D-gulo-octose
+Sedhepket107h?1222h2011112altro-hept-2-ulose (sedoheptulose)
+Rha3CMehepald107?1522m_3*C11011333-C-methylrhamnose (evalose)
+3HOMonnsulip1010*1OCCC^XCCCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222222222222233-hydroxy-octacosanoic acid
+AllNhexald97?2222h_2*N1111122-amino-2-deoxyallose
+3,5HOHexnsu*lip99*1OCCC^XCC^XC/7O*5/5O*3/3=O0212133,5-dihydroxyhexanoic acid
+Pronsupep94A2ddh_2-5*N*01222proline
+3HOCrtnsulip99*1OCCC^XCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O021222222222222222222222233-hydroxy-hexacosanoic acid
+3deryPenpenald99?2d2h112123-deoxy-erytro-pentose (3d-Rib = 3d-Xyl)
+Glnnsupep98A2ddA_2*N_5*N01220glutamine
+Ivansupep92A2dm_2*N_2*C00233isovaline (a-methyl-aminobutyric acid)
+iYeroct*ald99?2d12m_4*1C^RC/2O*2112013133,6-dideoxy-4-C-[(R)-1-hydroxyethyl]-D-xylo-hexose (isoyersiniose or yersiniose B)
+2,7anhKdooct*ket99A?d1122h_2-7002111122,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
+6dAltN4Nhexald99?1222m_2*N_4*N1111132,4-diamino-2,4,6-trideoxyaltrose
+AceAhex*ald99?161m_3*CO/2=O1101303C-carboxy-5-deoxy-L-xylofuranose (aceric acid)
+Subst4 * 99@Subst4 alias: another substituent
+SRCetLysnsu*pep99A1dddh_2*N_6*NC^RCO/4=O/3C012222013(2S,8R)-N(epsilon)-(1-carboxyethyl)lysine (derived from L-Lys)
+Gulhexald99?2212h111112gulose
+GalN3N4NAhexald88?2112A_2*N_3*N_4*N1111102,3,4-triamino-2,3,4-trideoxygalacturonic acid
+2HOC15nsulip88*1OCC^XCCCCCCCCCCCCC/4O*3/3=O0122222222222232-hydroxy-pentadecanoic acid
+2HOAchnsulip88*1OCC^XCCCCCCCCCCCCCCCCCC/4O*3/3=O012222222222222222232-hydroxy-icosanoic acid
+C13mva*lip86*OCCCCCCCCCCCCC/3=O0222222222223tridecanoic acid
+Talhexald88?1112h111112talose
+XylN-onicpenopn88A212h_2*N011122-amino-2-deoxy-xylonic acid
+Ilensupep88A2ddm_2*N_3*C011233isoleucine
+11HOLaunsulip88*1OCCCCCCCCCCC^XC/5O*3/3=O02222222221311-hydroxy-dodecanoic acid
+Nnomva*lip85*OCCCCCCCCC/3=O022222223pelargonic acid (nonanoic acid)
+Xyl-olpenol88h212h21112xylitol
+2daraHexAhexald88?d122A1211102-deoxy-arabino-hexuronic acid (2-deoxyglucuronic acid)
+6didoHephepald87?1212dh11111226-deoxy-ido-heptose
+Lyx-olpenol88h112h21112lyxitol
+Monmva*lip88*OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222222222223montanic acid (octacosanoic acid)
+C18={t2,t4,t6,c11}mva*lip88*OCC=^ECC=^ECC=^ECCCCC=^ZCCCCCCC/3=O/0111111222112222232,4,6-trans-11-cis-octadecatetraenoic acid
+C19mva*lip77*OCCCCCCCCCCCCCCCCCCC/3=O0222222222222222223nonadecanoic acid
+SS3,5HOHexnsu*lip77*1OCCC^SCC^SC/7O*5/5O*3/3=O0212133S,5S-dihydroxyhexanoic acid
+27oxoMonnsu*lip77*OCCCCCCCCCCCCCCCCCCCCCCCCCCCC/29=O/3=O022222222222222222222222220327-oxo-octacosanoic acid
+3dthrPenpenald77?1d2h112123-deoxy-threo-pentose
+1,6anhMurnon*ald77?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)
+4NBznsu* 77*7OC(CC^ZCC^ECC^Z$4)/7N*4/3=O01101104-aminobenzoic acid
+2HOMarnsulip77*1OCC^XCCCCCCCCCCCCCCC/4O*3/3=O012222222222222232-hydroxy-margaric acid
+Shewanellosenon*ald77?2112m_2*NCC/3=O_4*1CCCN/4=O/3O*2/3O*31110132002-acetamido-4-C-(3'-carboxamide-2',2'-dihydroxypropyl)-2,6-dideoxy-D-galactose
+SSCetLysnsu*pep77A1dddh_2*N_6*NC^RCO/4=O/3C012222013(2S,8S)-N(epsilon)-(1-carboxyethyl)lysine (derived from L-Lys)
+Vlmva*lip77*OCCCCC/3=O02223valeric acid
+C16={t2,c9}mva*lip77*OCC=^ECCCCCCC=^ZCCCCCCC/3=O0112222211222223trans-2-cis-9-hexadecadienoic acid
+Mur-olnon*ol77h2122h_2*N_3*OC^RCO/4=O/3C2111121032-amino-3-[(R)-1-carboxyethyl]-2-deoxy-D-glucitol (muramic alditol)
+GalN1Nhexald77?2112h_1*N_2*N1111121,2-diamino-1,2-dideoxygalactose (used for N-glycans)
+Ccrmva*lip77*OCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222222223carboceric acid (heptacosanoic acid)
+IdoN6Nhexald66?1212h_2*N_6*N1111122,6-diamino-2,6-dideoxyidose
+3HOBehnsulip63*1OCCC^XCCCCCCCCCCCCCCCCCCC/5O*3/3=O02122222222222222222233-hydroxy-docosanoic acid
+Tag-onichexket65A?112h001112lyxo-hex-2-ulosonic acid
+1dXylpenald66d212h211121-deoxy-xylose
+Sphnnsu*sph66*1OCC^SC^RCCCCCCCCCCC/5O*3/4N*2 any sphinganine (D-erythro- or D-threo-2-amino-1,3-diol C14-24)
+DL3,9dglcNon5N7N-ulosonicnon*ket66A?d12112m_5*N_7*N0021111138-epifusaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-gluco-nonulosonic)
+Axe3CMehep*ald66?d121m_3*C12011332,6-dideoxy-3C-methyl-L-xylo-hexose (axenose)
+4dEry-oltetol66h22m21134-deoxyerythritol (alias for 1-deoxyerythritol ?)
+SR9b1SphdC18nsu*sph66*1OCC^SC^RC=^ECCCC=^ECCCCCCCCC/11C/5O*3/4N*2211112210222222233(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C17
+1dGalhexald66d2112h2111121-deoxy-galactose (the same as linear form of 1,5-anhGal-ol, which still has 1-5 cycle)
+DDaltHephep*ald66?12222h1111112D-glycero-D-altro-heptose
+Man4Nhexald64?1122h_4*N1111124-amino-4-deoxymannose
+4,8anhKdooct*ket66A?d1122h_4-8002111124,8-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
+Gentnsu* 66*7OC(CC^ECC^ECC^Z$4)/8O*5/5O*2/3=O00110102,5-dihydroxybenzoic acid (gentisic acid)
+Glc3Nhexald66?2122h_3*N1111123-amino-3-deoxy-glucose (kanosamine when D)
+CetEtNnsu 66*1OCCNC^XCO*3/7=O/6C221302-(1-carboxyethylamino)ethanol [N-(2-hydroxyethyl)alanine]
+16HOPhytnsu*alk63*1OCCC^XCCCC^XCCCC^XCCCC^XC/5C/9C/13C/17C/18O*16221222122212221233333,7,11,15-tetramethyl-hexadecan-1,16-diol
+Amihexald66?dd22m1221132,3,6-trideoxy-erythro-hexose (amicetose, default: D)
+C16={11}mva*lip66*OCCCCCCCCCCC=^XCCCCC/3=O0222222222112223hexadec-11-enoic acid
+SPHnsu*lip55@SPHINGOID superclass: sphyngoid
+PhNO2mva* 55*O(CC^ZCC^ZCC^Z$3)/7N=O*4/7O011011@paranitrolhenol~
+4dThre-oltetol55h12m21134-deoxythreitol (alias for 1-deoxytreitol ?)
+4deryHex4enNAhexald55?22eEA_2*N1111002-amino-2,4-dideoxy-erythro-hex-4-enuronic acid
+RSCetLysnsu*pep55A2dddh_2*N_6*NC^RCO/4=O/3C012222013(2R,8S)-N(epsilon)-(1-carboxyethyl)lysine (derived from D-Lys)
+LDidoHephep*ald55?12121h1111112L-glycero-D-ido-heptose
+SphdC18nsu*sph55*1OCC^SC^RC=^ECCCC=^ECCCCCCCCCC/5O*3/4N*22111122112222222234E,8E-sphingadienine
+Sphtnsu*sph55*1OCC^SC^RC=^ECCCC=^ECC=^ECCCC/5O*3/4N*2 any 4E,8E,10E-sphingatrienine
+1dAlt-olhexol55m1222h3111121-deoxyaltritol
+SRDhpansu*lip55*1OC^SCC^RCC/4O*2/6O*4/3=O012132S,4R-dihydroxy-valeric acid (dihydroxypentanoic acid)
+Ornnsupep54A2ddh_2*N_5*N01222ornithine
+Rha1N-olhexol55h1122m_1*N2111131-amino-1,6-deoxy-D-mannitol
+6dlyxHex-4-ulohexald55?11U2m1110136-deoxy-lyxo-hexos-4-ulose
+6dgalHephepald53?2112dh11111226-deoxy-galacto-heptose
+4dxylHexhexald55?21d2h1112124-deoxy-xylo-hexose
+Hamhexald55?262h_2*CO1011222-C-(hydroxymethyl)ribose (hamamelose)
+2dthrPen4Npenald55?d12h_4*N121124-amino-2,4-dideoxy-threo-pentose
+Acinon*ket55A?d21111m_5*N_7*N002111113acinetaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-altro-non-2-ulosonic)
+Fusnon*ket55A?d12111m_5*N002111113fusaminic acid (5-amino-3,5,9-trideoxy-L-glycero-L-gluco-nonulosonic)
+4,6dxylHex3Nhexald55?21d2m_3*N1112133-amino-3,4,6-trideoxy-xylo-hexose
+C16={6}mva*lip55*OCCCCCC=^XCCCCCCCCCC/3=O0222211222222223hexadec-6-enoic acid
+myoIno1N3Nnsu*ino55111212_1*N_3*N1111111,3-dideoxy-1,3-diamino-myo-inositol (2-epi-streptamine)
+Hxmva*alk55*OCCCCCC222223hexanol
+Aibnsu*pep52Admm_2*N0033aminoisobutyric acid
+2HOGltnsu 55*1OCC^XCCCO*5/7=O/4O*2/3=O012202-hydroxyglutaric acid
+Fuc-olhexol44h2112m2111136-deoxy-D-galactitol (D-fucitol), 1-deoxy-D-galactitol (L-fucitol)
+Man3CMehepald43?1522h_3*C11011233-C-methylmannose
+2,4HO3,3,4MePro-5-oxonsu 44AxCXA-2x_2-5*N*_3*C_3*C_4*C000003332,4-dihydroxy-3,3,4-trimethyl-5-oxoproline
+Glc6Nhexald44?2122h_6*N1111126-amino-6-deoxyglucose
+Sorhexket44h?212h201112sorbose (xylo-hex-2-ulose)
+6dTal-olhexol44h1112m2111136-deoxytalitol
+iC13mva*lip43*OCCCCCCCCCCCC/13C/3=O0222222222133iso-tridecanoic acid
+2NBznsu* 44*7OC(CC^ECC^ZCC^Z$4)/5N*2/3=O00111102-aminobenzoic acid (anthranilic acid)
+17HOC18={?,?}nsulip44@C18{=,=}0???????????????1317-hydroxy-octadecadienoic acid
+2HOC25nsulip44*1OCC^XCCCCCCCCCCCCCCCCCCCCCCC/4O*3/3=O01222222222222222222222232-hydroxy-pentacosanoic acid
+4,6dxylHexhexald44?21d2m1112134,6-dideoxy-xylo-hexose (3-O-methyl derivative = halcose)
+Qui3N-olhexol44h2122m_3*N2111133-amino-3,6-dideoxyglucitol
+C14={6}mva*lip43*OCCCCCC=^XCCCCCCCC/3=O02222112222223tetradec-6-enoic acid
+4dthrHex4enhexald44?12eEh1111024-deoxy-threo-hex-4-enose
+6dAltNhexald44?1222m_2*N1111132-amino-2,6-dideoxyaltrose
+PEPnsu*pep44AC_2*N superclass: aminoacid
+DD3,9dthraltNon-onicnon*opn44A1d22212m0121111133,9-dideoxy-D-threo-D-altro-nononic acid
+Ere3N3CMehep*ald42?d611m_3*N_3*C12011333-amino-2,3,6-trideoxy-3-C-methyl-L-arabino-hexose (eremosamine)
+2,5anhTal-olhexol44h1112h_2-52111122,5-anhydrotalitol
+8ePsenon*ket44A?d22112m_5*N_7*N0021111138-epipseudaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-manno-non-2-ulosonic)
+HSernsupep44A2dh_2*N0122homoserine
+LDglcHephep*ald42?21221h1111112L-glycero-D-gluco-heptose
+8eAcinon*ket44A?d21112m_5*N_7*N0021111138-epiacinetaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-D-glycero-L-altro-non-2-ulosonic)
+2HOButnsulip44*1OCC^XCC/4O*2/3=O01232-hydroxybutanoic acid
+6dxylHex-4-ulohexald44?21U2m1110136-deoxy-xylo-hexos-4-ulose
+5HOiHxonsulip33*1OCC^XCCC/7O*5/5C/3=O0221235-hydroxy-isohexanoic acid
+Dau3Nhex*ald33?22d1m_3*N1211133-amino-2,3,6-trideoxy-L-lyxo-hexose (daunosamine)
+1,6dGulhexald33d2212m2111131,6-dideoxygulose
+QuiN1N4Nhexald33?2122m_1*N_2*N_4*N1111131,2,4-triamino-1,2,4,6-tetradeoxyglucopyranose (used for N-glycans)
+2HOaiHxonsulip33*1OCC^XC^XCC/5C/4O*2/3=O0112332-hydroxy-3-methyl-pentanoic acid
+C12={t6}mva*lip33*OCCCCCC=^ECCCCCC/3=O022221122223dodec-6E-enoic acid
+iPrmva*alk33*OCC/3C133isopropanol
+LD3,9dtalNon5N7N-ulosonicnon*ket33A?d11121m_5*N_7*N0021111134,8-epilegionaminic acid (5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-D-talo-non-2-ulosonic
+Trpnsupep33A2_2*N_2*C(CC^ZCC^ZCC^ZC$4/5NC$3)01201001111tryptophan
+RR3HO3MePro-5-oxonsu* 33A26dA_2-5*N*_3*C010203(2R,3R)-3-hydroxy-3-methyl-5-oxoproline
+Etg-aldi*opn33oh12glycolaldehyde
+nucdAnsu* 33ad22h-1b_1-4_1*(NC^ZCC^ENC^ZN$3/4N^ZC$2)/5N_5*OPO/3O/3=O1211210001deoxyadenosine (dA, bD2dRibf + 6-aminopurine)
+DDglcHephep*ald33?21222h1111112D-glycero-D-gluco-heptose
+RibApenald33?222A11110riburonic acid
+C16={?,?,?}mva*lip33@C16{=,=,=}0??????????????3hexadecatrienoic acid
+18HOStensu*lip33*1OCCCCCCCCCCCCCCCCCC/20O*18/3=O02222222222222222218-hydroxy-stearic acid
+RhaN4Nhexald33?1122m_2*N_4*N1111132,4-diamino-2,4,6-trideoxymannose
+oCoumnsu* 33*9OCC=^EC(CC^ECC^ZCC^Z$4)/7O*2/3=O001111110o-coumaric acid (E-3-(2-hydroxyphenyl)-2-propenoic)
+QuiN-olhexol33h2122m_2*N2111132-amino-2,6-dideoxyglucitol
+C14={5}mva*lip33*OCCCCC=^XCCCCCCCCC/3=O02221122222223tetradec-5-enoic acid
+nucdGnsu* 33ad22h-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)
+SphC16nsu*sph33*1OCC^SC^RC=^ECCCCCCCCCCCC/5O*3/4N*22111122222222223hexadecasphingosine
+S6Fuchexald33?2112m_6*SO/2=O/2=O1111126-sulphofucose (with C-S bond)
+ribHex-3-ulohexald33?2U22h110112ribo-hexos-3-ulose
+Dig3CMehepald33?d622m_3*C12011332,6-dideoxy-3-C-methyl-ribohexose (3-C-methyl-digitoxose) (3-O-methyl derivative = cladinose)
+16HOPamnsu*lip33*1OCCCCCCCCCCCCCCCCO*16/3=O022222222222222216-hydroxy-hexadecanoic acid
+3,4HO1,3MePro-5-oxonsu 33AxXxA_2-5*N*/2C_3*C01010333,4-dihydroxy-N,3-dimethyl-5-oxoproline
+2HOC13nsulip33*1OCC^XCCCCCCCCCCC/4O*3/3=O01222222222232-hydroxy-tridecanoic acid
+Gul4N5N-onichexopn33A2212h_4*N_5*N0111124,5-diamino-4,5-dideoxygulonic acid
+XylNpenald33?212h_2*N111122-amino-2-deoxyxylose
+17HOC18={c9,c12,c15}mvalip33*OCCCCCCCCC=^ZCCC=^ZCCC=^ZCCC/19O*17/3=O02222222112112111317-hydroxy-9Z,12Z,15Z-octadecatrienoic acid
+Gar3Nhep*ald33?215h_3*NC/2C_4*C11102334C-methyl-3-methylamino-3-deoxy-L-arabinose (garosamine)
+Gal1Nhexald33?2112h_1*N1111121-amino-1-deoxygalactose (used for N-glycans)
+GulNhexald33?2212h_2*N1111122-amino-2-deoxygulose
+6daraHexN-4-ulohexald22?12U2m_2*N1110132-amino-2,6-dideoxy-arabino-hexos-4-ulose
+C16={5}mva*lip22*OCCCCC=^XCCCCCCCCCCC/3=O0222112222222223hexadec-5-enoic acid
+6daraHex-4-ulohexald22?12U2m1110136-deoxy-arabino-hexos-4-ulose
+C14={8}mva*lip22*OCCCCCCCC=^XCCCCCC/3=O02222221122223tetradec-8-enoic acid
+nucdUnsu* 22ad22h-1b_1-4_1*NCNCC=^ZC$2/5=O/3=O_5*OPO/3O/3=O121120011deoxyuridine (dU, bD2dRibf + 2-oxy-4-oxy-pyrimidine)
+6dtalHephepald22?1112dh11111226-deoxy-talo-heptose
+4dlyxHexhexald22?11d2h1112124-deoxy-lyxo-hexose
+Glc1NAhexald22?2122A_1*N1111101-amino-1-deoxyglucuronic acid (used for N-glycans)
+IdoNhexald22?1212h_2*N1111122-amino-2-deoxyidose
+C15={5}mva*lip22*OCCCCC=^XCCCCCCCCCC/3=O022211222222223pentadec-5-enoic acid
+GlcN1N-olhexol22h2122h_1*N_2*N2111121,2-diamino-1,2-dideoxyglucitol
+QuiN4N-olhexol22h2122m_2*N_4*N2111132,4-diamino-2,4,6-trideoxyglucitol
+1dAll5NAhexald22d2222A_5*N2111105-amino-1,5-dideoxy-alluronic acid
+RRDhpansu*lip22*1OC^RCC^RCC/4O*2/6O*4/3=O012132R,4R-dihydroxy-valeric acid (dihydroxypentanoic acid)
+C18={5}mva*lip22*OCCCCC=^XCCCCCCCCCCCCC/3=O022211222222222223octadec-5-enoic acid
+1,5anhGlc-olhexol22h2122h_1-52111121,5-anhydroglucitol (= 1dGlcp in pyranose form)
+C17={5}mva*lip22*OCCCCC=^XCCCCCCCCCCCC/3=O02221122222222223heptadec-5-enoic acid
+QuiN3Nhexald22?2122m_2*N_3*N1111132,3-diamino-2,3,6-trideoxyglucose
+tBumva*alk22*OCC/3C/3C0333tret-butanol
+3,6dthrHex-4-ulohexald22?1dU2m1120133,6-dideoxy-threo-hexos-4-ulose
+Pse8Nnon*ket22A?d22111m_5*N_7*N_8*N0021111138N-pseudaminic acid (5,7,8-triamino-3,5,7,8,9-pentadeoxy-L-glycero-L-manno-non-2-ulosonic)
+3dxylHexhexald22?2d12h1121123-deoxy-xylo-hexose
+6dxylHex-3-ulohexald22?2U12m1101136-deoxy-xylo-hexos-3-ulose
+C16={c7,c10,c13}mva*lip22*OCCCCCCC=^ZCCC=^ZCCC=^ZCCC/3=O0222221121121123cis-7,10,13-hexadecatrienoic acid
+GlcN4NAhexald22?2122A_2*N_4*N1111102,4-diamino-2,4-dideoxyglucuronic acid
+3,4HOiC15nsulip22*1OCCC^XC^XCCCCCCCCCC/15C/6O*4/5O*3/3=O0211222222221333,4-dihydroxy-iso-pentadecanoic acid
+Glc1N-olhexol22h2122h_1*N2111121-amino-1-deoxyglucitol
+myoIno2Nnsu*ino22111212_2*N1111112-deoxy-2-amino-myo-inositol
+C16={t2,t4,c9}mva*lip22*OCC=^ECC=^ECCCCC=^ZCCCCCCC/3=O0111122211222223trans-2,4-cis-9-hexadecatrienoic acid
+Gal3Fhexald22?2112h_3*F1111123-deoxy-3-fluorogalactose
+Foroct*ald22?dd22m_4*NC/2C122113334-dimethylamino-2,3,4,6-tetradeoxy-D-erythro-hexose (forosamine)
+C10={2}mva*lip22*OC=^XCCCCCCCCCCC/3=O0112222223dec-2-enoic acid
+1dThre-oltetol22m12h31121-deoxythreitol
+Man3Nhexald22?1122h_3*N1111123-amino-3-deoxymannose
+Oli4Nhexald22?d122m_4*N1211134-amino-2,4,6-trideoxy-arabino-hexose
+2dRibpenald22?d22h121122-deoxy-erytro-pentose (2d-Rib = 2d-Ara)
+iMurnon*ald22?2122h_2*N_3*OC^SCO/4=O/3C1111121032-amino-3-[(S)-1-carboxyethyl]-2-deoxy-D-glucose (isomuramic acid)
+2,3HOiMyrnsulip21*1OCC^XC^XCCCCCCCCCC/14C/5O*3/4O*2/3=O011222222221332,3-dihydroxy-iso-tetradecanoic acid
+1dRhahexald22d1122m2111131,6-dideoxymannose (1-deoxyrhamnose)
+Argnsupep21A2dddh_2*N_5*1NCN*2/3=N0122201arginine
+Fuc1N-olhexol22h2112m_1*N2111131-amino-1,6-dideoxy-D-galactitol
+scylloInonsu*ino11121212111111scyllo-inositol (cis-1,3,5-trans-2,4,6-cyclohexanehexol) [all OH eq]
+3daraHep-ulosonichepket11A?d122h00211123-deoxy-arabino-hept-2-ulosonic acid
+SphC20nsu*sph11*1OCC^SC^RC=^ECCCCCCCCCCCCCCCC/5O*3/4N*221111222222222222223icosasphingosine
+ribHexNA-3-ulohexald11?2U22A_2*N1101102-amino-2-deoxy-ribo-hexos-3-ulose-uronic acid
+Taunsu*pep11*1OSCCN*3/3=O/3=O022taurine (2-aminoethanesulfonic acid)
+Rha3CMe4Nhepald11?1522m_3*C_4*N11011333-C-methyl-4-deoxy-4-amino-rhamnose (kansosamine when 2-O-methylated)
+thrPen-4-ulopenald11?12Oh11102threo-pentos-4-ulose (ald function at C1, keto at C4)
+3HOBznsu* 11*7OC(CC^ECC^ZCC^Z$4)/6O*3/3=O01011103-hydroxybenzoic acid (m-hydroxybenzoic acid)
+TalNhexald11?1112h_2*N1111122-amino-2-deoxytalose
+Taghexket11h?112h201112tagatose (lyxo-hex-2-ulose)
+Van3N3CMehep*ald11?d621m_3*N_3*C12011333-amino-2,3,6-trideoxy-3-C-methyl-L-lyxo-hexose (vancosamine)
+3dgroPen-ulosonicpenket11A?d2h002123-deoxy-glycero-pent-2-ulosonic acid
+3dlyxHexhexald11?1d12h1121123-deoxy-lyxo-hexose
+3dthrHex-ulosonichexket11A?d12h0021123-deoxy-threo-hex-2-ulosonic acid
+Tyv4Nhex*ald11?1d22m_4*N1121134-amino-3,4,6-trideoxy-D-arabino-hexose
+gLnnmva*lip11*OCCCCCC=^XCCC=^XCCC=^XCCCCCC/3=O/022221121121122223(6,9,12)-linolenic acid (6,9,12-octadecatrienoic acid)
+cis-SphC18nsu*sph11*1OCC^SC^RC=^ZCCCCCCCCCCCCCC/5O*3/4N*2211112222222222223cis-sphingosine
+aiPammvalip11*OCCCCCCCCCCCCC^XCC/15C/3=O0222222222221233anteisopalmitic acid
+3HOaiVlnsulip11*OCC^XCC/3=O/4C/5O*3011333S-hydroxy-anteisovaleric acid (2-methyl-butyric acid)
+TETtet*sug11QQQQ superclass: tetrose
+3HOC32={19}nsulip11*1OCCC^XCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/5O*3/3=O021222222222222222112222222222233-hydroxy-dotriacont-19-enoic acid
+2b14b1C22={t2}mvalip11*OCC=^ECC^XCCCCCCCCCCCCCCCC/6C/4C/3=O00112222222222222223332,4-dimethyl-eicos-2E-enoic acid
+bResnsu* 11*7OC(CC^ECC^ECC^Z$4)/7O*4/5O*2/3=O00101102,4-dihydroxybenzoic acid (beta-resorcyclic acid)
+4,6dlyxHexhexald11?11d2m1112134,6-dideoxy-lyxo-hexose
+phCer-olnsu* 11@phthioceranol222222222222222221212222112333phthioceranol
+mCoumnsu* 11*9OCC=^EC(CC^ECC^ZCC^Z$4)/8O*3/3=O010111110m-coumaric acid (E-3-(3-hydroxyphenyl)-2-propenoic)
+2b14b1C22={2}mvalip11*OCC=^XCC^XCCCCCCCCCCCCCCCC/6C/4C/3=O00112222222222222223332,4-dimethyl-eicos-2-enoic acid
+3,7dlyxOct-ulosonicoctket11A?d112dh002111223,7-dideoxy-lyxo-oct-2-ulosonic acid
+2daraHexhexald11?d122h1211122-deoxy-arabino-hexose (2d-Glc, 2d-Man)
+1dRibpenald11d222h211121-deoxy-ribose
+6dGul3CMehepald11?2612m_3*C11011336-deoxy-3-C-methylgulose (virenose)
+9,10,17HOStensulip11*1OCCCCCCCC^XC^XCCCCCCC^XCC/11O*9/12O*10/19O*17/3=O0222222211222222139,10,17-trihydroxy-stearic acid
+Metnsupep11A2dh_2*N_4*SC01223methionine
+GalA-olhexol11h2112A211110galactitol uronic acid (same as galactonic acid with inverted D
+8HONnonsulip11*1OCCCCCCCCC/10O*8/3=O0222222138-hydroxy-nonanoic acid
+C12={6}mva*lip11*OCCCCCC=^XCCCCCC/3=O022221122223dodec-6-enoic acid
+NFomva* 11*NC=O formamide (used e.g. in NFo(1-6)aDGalpA)
+9HONnonsu*lip11*1OCCCCCCCCC/11O*9/3=O0222222229-hydroxy-nonanoic acid
+Api-olpenol11h26h_3*CO21022apiol (3-C-(hydroxymethyl)-erythro-tetrol)
+C13={6}mva*lip11*OCCCCCC=^XCCCCCCC/3=O0222211222223tridec-6-enoic acid
+LDHephep*sug11 alias: LD-heptose
+Nnmva*alk11*OCCCCCCCCC222222223nonanol
+9b1Achmvalip11*OCCCCCCCCC^XCCCCCCCCCC/11C/3=O022222221222222222339-methyl-nonadecanoic acid
+Erytetald11?22h1112erythrose
+Idohexald11?1212h111112idose
+Lacceroicmva*lip11*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222222222223lacceroic acid (dotriacontanoic acid)
+Leg8Nnon*ket11A?d21122m_5*N_7*N_8*N0021111138N-legionaminic acid (5,7,8-triamino-3,5,7,8,9-pentadeoxy-D-glycero-D-galacto-non-2-ulosonic)
+6dlyxHep-4-ulohepald11?11U2dh11101226-deoxy-lyxo-heptos-4-ulose
+LL3,9dglcNon5N7N-ulosonicnon*ket11A?d12111m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-L-glycero-L-gluco-nonulosonic acid
+LDglcOct-3-ulooct*ket11h2?1221h21011112L-glycero-D-gluco-3-octulose (3-8 pyranose cycle)
+Gal4N5N-onichexopn11A2112h_4*N_5*N0111124,5-diamino-4,5-dideoxygalactonic acid
+6dlyxHexN-4-ulohexald11?11U2m_2*N1110132-amino-2,6-dideoxy-lyxo-hexos-4-ulose
+Lyx3CHmhexald11?152h_3*CO1101223-C-(hydroxymethyl)lyxose (dihydrohydroxystreptose)
+Ido-olhexol11h1212h211112iditol
+15HOC16={?}nsulip11@C16{=}0?????????????1315-hydroxy-hexadecenoic acid
+Ara1Npenald11?122h_1*N111121-amino-1-deoxyarabinose
+15HOC16={?,?}nsulip11@C16{=,=}0?????????????1315-hydroxy-hexadecadienoic acid
+Gal1Shexald11?2112m_1*S1111121-thiogalactose (with C-SH bond)
+Gul4N5NA-onichexopn11A2212A_4*N_5*N0111104,5-diamino-4,5-dideoxygularic acid
+Abunsupep11A2dm_2*N0123aminobutyric acid
+DDmanHep-olhep*ol11h11222h2111112D-glycero-D-manno-heptitol
+C19c{9,11}mva*lip11*OCCCCCCCCCCCCCCCCCC/12C$11/3=O02222222121222222239,11-cyclo-nonadecanoic acid
+Qui1N4Nhexald11?2122m_1*N_4*N1111131,4-diamino-1,4,6-trideoxyglucopyranose
+C23={c14}mva*lip11*OCCCCCCCCCCCCCC=^ZCCCCCCCCC/3=O02222222222221122222223cis-14-tricosenoic acid
+Psihexket11h?222h201112psicose (ribo-hex-2-ulose)
+C18={6}mva*lip11*OCCCCCC=^XCCCCCCCCCCCC/3=O022221122222222223octadec-6-enoic acid
+1dEry3N-oltetol11m22h_3*N31123-amino-1,3-dideoxyerythritol
+C18={t5,t8,t11,t14}mva*lip11*OCCCCC=^ECCC=^ECCC=^ECCC=^ECCCC/3=O/022211211211211223trans-5,8,11,14-octadecatetraenoic acid
+PurChex*ald11?2dd2h_2*N_6*N1122122,6-diamino-2,3,4,6-tetradeoxy-D-erythro-hexose (purpurosamine C)
+C18={?,?,?,?}mva*lip11@C18{=,=,=,=}0????????????????3octadecatetraenoic acid
+4deryHex4enhexald11?22eEh1111024-deoxy-erythro-hex-4-enose
+C25={c16}mva*lip11*OCCCCCCCCCCCCCCCC=^ZCCCCCCCCC/3=O0222222222222221122222223cis-16-pentacosenoic acid
+Glc3N6Nhexald11?2122h_3*N_6*N1111123,6-diamino-3,6-dideoxyglucose
+DD3,9dmanNon5N7N-ulosonicnon*ket11A?d11222m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-manno-non-2-ulosonic acid
+DDidoHep-olhep*ol11h12122h2111112D-glycero-D-ido-heptitol
+6dAll1Nhexald11?2222m_1*N1111131-amino-6-deoxyallose
+C15={6}mva*lip11*OCCCCCC=^XCCCCCCCCC/3=O022221122222223pentadec-6-enoic acid
+Phmva* 11*O(CC^ZCC^ZCC^Z$3)011111phenol
+1,5daraHex-olhexol11m122dh3111221,5-dideoxy-arabinohexitol
+Qui4N-olhexol11h2122m_4*N2111134-amino-4,6-dideoxyglucitol
+C17={6}mva*lip11*OCCCCCC=^XCCCCCCCCCCC/3=O02222112222222223heptadec-6-enoic acid
+d2Achmva*lip00*OCCCCCCCC=^XCCC=^XCCCCCCCCC/3=O022222211211222222238,11-icosadienoic acid
+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)
+AltNhexald00?1222h_2*N1111122-amino-2-deoxyaltrose
+alloInonsu*ino00112222111111allo-inositol (cis-1,2-trans-3,4,5,6-cyclohexanehexol)
+2,7anhKdo-oloctol00Axd1122h_2-7012111122,7-anhydro-3-deoxy-D-glycero-D-galacto/talo-octonic acid
+GalN3Nhexald00?2112h_2*N_3*N1111122,3-diamino-2,3-dideoxygalactose
+Geddicmva*lip00*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O0222222222222222222222222222222223geddic acid (tetratriacontanoic acid)
+AltN3Nhexald00?1222h_2*N_3*N1111122,3-diamino-2,3-dideoxyaltrose
+Alt-olhexol00h1222h211112altritol
+cis-SphC16nsu*sph00*1OCC^SC^RC=^ZCCCCCCCCCCCC/5O*3/4N*22111122222222223cis-hexadecasphingosine
+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)
+1,2,6daraHexhexald00dd122m2211131,2,6-trideoxy-arabino-hexose (olivose in C-glycoside)
+2,6daraHexhexald00?d122m1211132,6-dideoxy-arabino-hexose (olivose, 2d-Qui = 2d-Rha), 3OMe-derivative = oleandrose
+DECdec*sug00QQQQQQQQQQ superclass: decose
+2,6daraHex4Nhexald00?d122m_4*N1211134-amino-2,4,6-trideoxy-arabino-hexose
+DLmanHephep*ald00?22112h1111112D-glycero-L-manno-heptose
+neoInonsu*ino00111222111111neo-inositol (cis-1,2,3-trans-4,5,6-cyclohexanehexol)
+Desoct*ald00?21d2m_3*NC/2C111213333-dimethylamino-3,4,6-trideoxy-D-xylo-hexose (desosamine)
+DDHEPhep*sug00QQQQ22Q superclass: DD-heptose
+DD3,9dgulNon5N7N-ulosonicnon*ket00A?d22122m_5*N_7*N0021111135,7-diamino-3,5,7,9-tetradeoxy-D-glycero-D-gulo-non-2-ulosonic acid
+C18c{9,11}mva*lip00*OCCCCCCCCCCCCCCCCC/12C$11/3=O022222221212222223cyclo-9,11-octadecanoic acid
+xylHex-4-ulohexald00?21U2h111012xylo-hexos-4-ulose
+phSphC22nsu*sph00*1OCC^SC^SC^RCCCCCCCCCCCCCCCCCC/6O*4/5O*3/4N*22111222222222222222223phytosphingosine C22
+2,6dlyxHex3Nhexald00?11d2m_3*N1211133-amino-2,3,6-trideoxy-lyxo-hexose
+Ceroplasticmva*lip00*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222222222222223ceroplastic acid (pentatriacontanoic acid)
+2,6daraHex3Nhexald00?12d2m_3*N1211133-amino-2,3,6-trideoxy-arabino-hexose
+17HOC18={?}nsulip00@C18{=}0???????????????1317-hydroxy-octadecenoic acid
+eryPen-4-ulopenald00?22Oh11102erythro-pentos-4-ulose (ald function at C1, keto at C4)
+Gal3Nhexald00?2112h_3*N1111123-amino-3-deoxygalactose
+epiInonsu*ino00122222111111epi-inositol (cis-1-trans-2,3,4,5,6-cyclohexanehexol)
+eStemva*lip00*OCCCCCCCCC=^XCC=^XCC=^XCCCCC/3=O/022222221111112223eleostearic acid (9,11,13-octadecatrienoic acid)
+d4Achmva*lip00*OCCCCC=^XCCC=^XCCC=^XCCC=^XCCCCCC/3=O02221121121121122223arachidonic acid (5,8,11,14-icosatetraenoic acid)
+Fuclhexket00h?112m2011136-deoxy-tagatose (fucolose when L)
+2,6dxylHexhexald00?d212m1211132,6-dideoxy-xylo-hexose (sarmentose = boiviniose, 2d6d-Gul = 2d6d-Ido)
+mucoInonsu*ino00112112111111muco-inositol (cis-1,2,4,5-trans-3,6-cyclohexanehexol)
+Erutetket00hO2h2012erythrulose
+EryNtetald00?22h_2*N11122-amino-2-deoxyerythrose
+AllN3Nhexald00?2222h_2*N_3*N1111122,3-diamino-2,3-dideoxyallose
+d3Achmva*lip00*OCCCCC=^XCCC=^XCCC=^XCCCCCCCCC/3=O022211211211222222235,8,11-icosatrienoic acid
+Hpmva*alk00*OCCCCCCC2222223heptanol
+3dgroTettetald00o2dh11223-deoxy-glycero-tetrose
+Secnsupep00A2h_2*N_3*Se012selenocysteine
+3dgroTet-oltetol00h2dh21223-deoxy-glycero-tetritol
+Nvansupep00A2ddm_2*N01223norvaline
+SRSphnC22nsu*sph00*1OCC^SC^RCCCCCCCCCCCCCCCCCCC/5O*3/4N*22112222222222222222223SR-sphinganine C22
+OCToct*sug00QQQQQQQQ superclass: octose
+Nonnonsug00 alias: nonose
+Nlensupep00A2dddm_2*N012223norleucine
+6dIdohexald00?1212m1111136-deoxyidose
+6dIdoNhexald00?1212m_2*N1111132-amino-2,6-dideoxyidose
+1,6anhGlchexald00?2122h_1-62111121,6-anhydroglucose
+6dGulNhexald00?2212m_2*N1111132-amino-2,6-dideoxygulose
+NONnon*sug00QQQQQQQQQ superclass: nonose
+Mycoct*ald00?2122m_3*NC/2C111113333-dimethylamino-3,6-dideoxy-D-glucose (mycaminose)
+SRSphnC20nsu*sph00*1OCC^SC^RCCCCCCCCCCCCCCCCC/5O*3/4N*221122222222222222223SR-icosasphinganine (D-erythro-2-amino-1,3-icosanediol)
+Octoctsug00 alias: octose
+4,6daraHexNhexald00?12d2m_2*N1112132-amino-2,4,6-trideoxy-arabino-hexose
+Psyllicmva*lip00*OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O022222222222222222222222222222223psyllic acid (tritriacontanoic acid)
+4HOaiHxonsulip00*1OCCC^XC^XC/6O*4/5C/3=O0211334-hydroxy-3-methyl-pentanoic acid
+Qui-olhexol00h2122m2111136-deoxy-glucitol (quinovitol) = 1-deoxy-gulitol
+RRSphnC16nsu*sph00*1OCC^RC^RCCCCCCCCCCCCC/5O*3/4N*22112222222222223RR-hexadecasphynganine (D-threo-2-amino-1,3-hexadecanediol)
+RRCetLysnsu*pep00A2dddh_2*N_6*NC^RCO/4=O/3C012222013(2R,8R)-N(epsilon)-(1-carboxyethyl)lysine (derived from D-Lys)
+Pro-5-oxonsu 00AxddA_2-5*N*012205-oxoprolin (pyroglutamic acid, pidolic acid)
+Ricnnsu*lip00*1OCCCCCCCCC=^ZCCCCC^RCCCC/14O*12/3=O022222221121222223ricinoleic acid (12-R-hydroxy-cis-9-octadecenoic acid)
+6dAllNhexald00?2222m_2*N1111132-amino-2,6-dideoxyallose
+SRSphnC16nsu*sph00*1OCC^SC^RCCCCCCCCCCCCC/5O*3/4N*22112222222222223SR-hexadecasphynganine (D-erythro-2-amino-1,3-hexadecanediol)
+PENpen*sug00QQQQQ superclass: pentose
+Penpensug00 alias: pentose
+Rulpenket00h?22h20112erythro-pent-2-ulose (ribulose)
+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)
+SphC22nsu*sph00*1OCC^SC^RC=^ECCCCCCCCCCCCCCCCCC/5O*3/4N*22111122222222222222223sphingosine C22
+2,7anhmanOct-onicoctopn00Axx1122h_2-7011111122,7-anhydro-manno-octonic acid
+ThreNtetald00?12h_2*N11122-amino-2-deoxythreose
+RRSphnC22nsu*sph00*1OCC^RC^RCCCCCCCCCCCCCCCCCCC/5O*3/4N*22112222222222222222223RR-sphinganine C22
+IdoN3Nhexald00?1212h_2*N_3*N1111122,3-diamino-2,3-dideoxyidose
+Thretetald00?12h1112threose
+LDHEPhep*sug00QQQQ21Q superclass: LD-heptose
+Tettetsug00 alias: tetrose
+GulN3Nhexald00?2212h_2*N_3*N1111122,3-diamino-2,3-dideoxygulose
+Gul-olhexol00h2212h211112gulitol
+All-olhexol00h2222h211112allitol
+All5NAhexald00?2222A_5*N1111105-amino-5-deoxy-alluronic acid
+Gltnsu* 00*OCCCCCO*/7=O/3=O02220glutaric acid (HOOC-CH2-CH2-CH2-COOH)
+1,3dgroTet-oltetol00m2dh31221,3-dideoxy-glycero-tetritol
+Aco3Nhex*ald00?d121m_3*N1211133-amino-2,3,6-trideoxy-L-xylo-hexose (acosamine)
+2,7anhSedhepket00h?1222h_2-720111122,7-anhydro-altro-hept-2-ulopyranose (sedoheptulosan if D)
+TalNAhexald00?1112A_2*N1111102-amino-2-deoxytaluronic acid
+TalN3Nhexald00?1112h_2*N_3*N1111122,3-diamino-2,3-dideoxytalose
+6dallHephepald00?2222dh11111226-deoxy-allo-heptose
+MVAmva* 00 superclass: any monovalent residue
+1,6anhGlcNhexald00?2122h_1-6_2*N2111122-amino-1,6-anhydro-2-deoxyglucose
+6dTal3Nhexald00?1112m_3*N1111133-amino-3,6-dideoxytalose
+ManN3Nhexald00?1122h_2*N_3*N1111122,3-diamino-2,3-dideoxymannose
+1dThre3N-oltetol00m12h_3*N31123-amino-1,3-dideoxythreitol
+LyxN2CMe-onichexopn00A512h_2*N_2*C0011232-amino-2-deoxy-2-C-methyllyxonic acid
+Lincose1SMe6Nnon*ald00a211222m_1*SC_6*N1111111336-amino-6,8-dideoxy-1-methylthio-D-erythro-D-galactose (methyl-thio-lincosamide)
+Tal-olhexol00h1112h211112talitol
+TalAhexald00?1112A111110taluronic acid
+LDmanHep-olhep*ol00h11221h2111112L-glycero-D-manno-heptitol
+Subst5 * 00@Subst5 alias: another substituent
+6dglcHephepald00?2122dh11111226-deoxy-gluco-heptose
+AllAhexald00?2222A111110alluronic acid

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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