CSDB monomer namespace

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

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


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Residue Size Type Abundance Structures WURCSProton count / Atom types Description
+1,5anhGlc-olhexol11h2122h_1-52111121,5-anhydroglucitol (= 1dGlcp in pyranose form)
+15,16HOPamnsulip44*1OCCCCCCCCCCCCCCC^XCO*16/17O*15/3=O022222222222221215,16-dihydroxy-hexadecanoic acid - C16:0
+17HOOlensulip33*1OCCCCCCCCC=^ZCCCCCCCC^XC/19O*17/3=O02222222112222221317-hydroxy-cis-9-octadecenoic acid - C18:1{9Z}
+1dGlchexald11d2122h2111121-deoxy-glucose (the same as linear form of 1,5-anhGlc-ol, which still has 1-5 cycle)
+2,15,16HOPamnsulip44*1OCC^XCCCCCCCCCCCCC^XCO*16/17O*15/4O*2/3=O01222222222222122,15,16-trihydroxy-hexadecanoic acid - C16:0, R/S-configuration at C15 is unknown
+2,3HOBznsu* 77*7OC(CC^ZCC^ZCC^Z$4)/6O*3/5O*2/3=O00011102,3-dihydroxybenzoic acid
+2,6daraHexhexald9564?d122m1211132,6-dideoxy-arabino-hexose(olivose, 2d-Qui = 2d-Rha), 3OMe-derivative = oleandrose
+2,6dlyxHexhexald2525?d112m1211132,6-dideoxy-lyxo-hexose (diginose, 2d-Fuc = 2d6d-Tal), D-form: oliose
+2,6dxylHexhexald44?d212m1211132,6-dideoxy-xylo-hexose (sarmentose = boiviniose, 2d6d-Gul = 2d6d-Ido)
+2HOaiHxonsulip33*1OCC^XC^XCC/5C/4O*2/3=O0112332-hydroxy-3-methyl-pentanoic acid - C6:0, R/S-configuratio at C3 is unknown
+2HOBehnsulip11*1OCC^XCCCCCCCCCCCCCCCCCCCC/4O*2/3=O01222222222222222222232-hydroxy-docosanoic acid - C22:0
+2HOC16={t3}nsulip22*1OC^XCC=^ECCCCCCCCCCCCC/4O*2/3=O01112222222222232-hydroxy-trans-3-hexadecenoic acid - C16:1{3E}
+2HOC18={t3}nsulip1717*1OCC^XC=^ECCCCCCCCCCCCCCC/4O*2/3=O0111222222222222232-hydroxy-trans-3-octadecenoic acid - C18:1{3E}
+2HOLignsulip1616*1OCC^XCCCCCCCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222222222232-hydroxy-tetracosanoic acid - C24:0
+2HOPamnsulip66*1OCC^XCCCCCCCCCCCCCC/4O*2/3=O01222222222222232-hydroxy-hexadecanoic acid - C16:0
+2HOStensulip1212*1OCC^XCCCCCCCCCCCCCCCC/4O*2/3=O0122222222222222232-hydroxy-octadecanoic acid - C18:0
+3,4,8HOPhetnsu* 6565*8OCC(CC^ECC^ECC^Z$4$5)/8O*4/7O*3010011223,4,8-trihydroxy-ethylbenzene (phenylethan-3,4,8-triol)
+3dlyxHep-ulosarichepket11A?d112A00211103-deoxy-lyxo-hept-2-ulosaric acid (Dha_A when D)
+3HO3MeGltnsu 3232*1OCCC^XCCO*5/7=O/5C/5O*3/3=O0202033-hydroxy-3-methylglutaric acid
+3HOButnsulip3820*1OCCC^XC/5O*3/3=O02133-hydroxybutanoic acid
+3HOHxonsulip44*1OCCC^XCCC/5O*3/3=O0212233-hydroxy-hexanoic acid - C6:0
+3HOOconsulip44*1OCCC^XCCCCC/5O*3/3=O021222233-hydroxy-octanoic acid - C8:0
+4dthrHex4enAhexald66?12eEA1111004-deoxy-threo-hex-4-enuronic acid
+4HOBznsu* 1212*7OC(CC^ZCC^ECC^Z$4)/7O*4/3=O01101104-hydroxybenzoic (p-hydroxybenzoic) acid
+5HOiHxonsulip33*1OCC^XCCC/7O*5/5C/3=O0221235-hydroxy-isohexanoic acid - C6:0
+6dAllhexald1010?2222m1111136-deoxyallose
+6dGulhexald33?2212m1111136-deoxygulose
+9b1SphdC19nsu*sph2727*1OCC^SC^RC=^ECCCC=^ECCCCCCCCCC/11C/5O*3/4N*22111122102222222233(2S,3R,4E,8E)-9-methyl-4,8-sphingadienine-C18
+Acmva* 1715850*OCC/3=O03acetic acid - C2:0
+AceAhex*ald33?161m_3*CO/2=O1101303C-carboxy-5-deoxy-L-xylofuranose (aceric acid)
+aiVlmvalip2320*OCC^XCC/3=O/4C00233anteisovaleric (2-methyl-butyric) acid - C5:0
+Alansupep11A2m_2*N013alanine
+ALKmva*alk55@ALKYL superclass: alcohol residue (alkyl)
+Allylmva* 11*OCC=C212allyl alcohol
+aLnnmva*lip32*OCCCCCCCCC=^XCCC=^XCCC=^XCCC/3=O/022222221121121123(9,12,15)-linolenic (9,12,15-octadecatrienoic) acid - C18:3{9,12,15}
+Althexald1111?1222h111112altrose
+Angmva*lip1111*OCC=^ZCC/4C/3=O00133(Z)-2-methylbut-2-enoic (angelic) acid - C5:1
+ANY * 17188 superclass: any residue
+Apipenald103101?26h_3*CO110223-C-(Hydroxymethyl)-erythro-tetrose (apiose)
+Api-olpenol11h26h_3*CO210223-C-(Hydroxymethyl)-erythro-tetrol (apiol)
+Arapenald1341997?122h11112arabinose
+Ara-olpenol66h122h21112arabinitol
+Argnsupep21A2dddh_2*N_5*1NCN*2/3=N0122201arginine
+Asnnsupep9190A2dA_2*N_4*N0120asparagine
+Aspnsupep22A2dA_2*N0120aspartic acid
+Bnmva* 77*OC(CC^ZCC^ZCC^Z$4)0111112benzoic alcohol
+bResnsu* 11*7OC(CC^ECC^ECC^Z$4)/7O*4/5O*2/3=O00101102,4-dihydroxybenzoic (beta-resorcyclic) acid
+Bumva*alk11*OCCCC2223butanol
+Butmva*lip33*OCCCC/3=O0223butyric acid - C4:0 (former Br_)
+Bzmva* 7367*OC(CC^ZCC^ZCC^Z$4)/3=O0111110benzoic acid
+C12={5}mva*lip22*OCCCCC=^XCCCCCCC/3=O022211222223dodec-5-enoic acid - C12:1
+C12={6}mva*lip11*OCCCCCC=^XCCCCCC/3=O022221122223dodec-6-enoic acid - C12:1
+C13={6}mva*lip11*OCCCCCC=^XCCCCCCC/3=O0222211222223tridec-6-enoic acid - C13:1
+C14={5}mva*lip22*OCCCCC=^XCCCCCCCCC/3=O02221122222223tetradec-5-enoic acid - C14:1
+C14={6}mva*lip11*OCCCCCC=^XCCCCCCCC/3=O02222112222223tetradec-6-enoic acid - C14:1
+C15={5}mva*lip22*OCCCCC=^XCCCCCCCCCC/3=O022211222222223pentadec-5-enoic acid - C15:1{5}
+C15={6}mva*lip11*OCCCCCC=^XCCCCCCCCC/3=O022221122222223pentadec-6-enoic acid - C15:1{6}
+C16={5}mva*lip22*OCCCCC=^XCCCCCCCCCCC/3=O0222112222222223hexadec-5-enoic acid - C16:1{5}
+C16={6}mva*lip11*OCCCCCC=^XCCCCCCCCCC/3=O0222211222222223hexadec-6-enoic acid - C16:1{6}
+C16={c7,c10,c13}mva*lip22*OCCCCCCC=^ZCCC=^ZCCC=^ZCCC/3=O0222221121121123cis-7,10,13-hexadecatrienoic acid - C16:3{7Z,10Z,13Z}
+C17={5}mva*lip22*OCCCCC=^XCCCCCCCCCCCC/3=O02221122222222223heptadec-5-enoic acid - C17:1{5}
+C17={6}mva*lip11*OCCCCCC=^XCCCCCCCCCCC/3=O02222112222222223heptadec-6-enoic acid - C17:1{6}
+C18={5}mva*lip22*OCCCCC=^XCCCCCCCCCCCCC/3=O022211222222222223octadec-5-enoic acid - C18:1{5}
+C18={6}mva*lip11*OCCCCCC=^XCCCCCCCCCCCC/3=O022221122222222223octadec-6-enoic acid - C18:1{6}
+C23={c14}mva*lip11*OCCCCCCCCCCCCCC=^ZCCCCCCCCC/3=O02222222222221122222223cis-14-tricosenoic acid - C23:1{14Z}
+C25={c16}mva*lip11*OCCCCCCCCCCCCCCCC=^ZCCCCCCCCC/3=O0222222222222221122222223cis-16-pentacosenoic acid - C25:1{16Z}
+Cafnsu* 9090*9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8O*3/3=O010011110caffeic (E-3-(3,4-dihydroxyphenyl)-2-propenoic) acid
+CERnsu* 5151@CERAMIDE superclass: ceramide (N-acylated sphyngoid)
+chiroInonsuino44112122111111chyro-inositol (D-form: cis-1,2,4-trans-3,5,6-cyclohexanehexol)
+Chonsu* 77*OCCNC/5C/5C22?2-(trimethylammonio)ethanol (choline)
+Cinnsu* 1313*OCC=^EC(CC^ZCC^ZCC^Z$4)/3=O011111110cinnamic (E-3-phenylprop-2-enoic) acid
+Crtmva*lip22*OCCCCCCCCCCCCCCCCCCCCCCCCCC/3=O02222222222222222222222223cerotic (hexacosanoic) acid - C26:0
+Dcomva*lip65*OCCCCCCCCCC/3=O0222222223decanoic (capric) acid - C10:0
+Dighexald226123?d222m1211132,6-dideoxy-ribo-hexose (digitoxose, 2d6d-All = 2d6d-Alt), 3OMe-derivative = cymarose
+Dodmva*alk77*OCCCCCCCCCCCC222222222223dodecanol
+Ery-oltetol55h22h2112erythritol
+Etmva*alk44*OCC23ethanol
+EtNnsu* 86*1OCCN*2222-aminoethanol (ethanolamine)
+Etgdi*ol11hh22ethylene glycol
+Fernsu* 193154*9OCC=^EC(CC^ECC^ECC^Z$4)/9O*4/8OC/3=O0100111103ferulic (E-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic) acid
+Fruhexket288172h?122h201112arabino-hex-2-ulose (fructose)
+Fuchexald529471?2112m1111136-deoxygalactose (fucose)
+Fuc-olhexol11h2112m2111136-deoxy-D-galactitol (D-fucitol), 1-deoxy-D-galactitol (L-fucitol)
+Galhexald19391249?2112h111112galactose
+Gal-olhexol2626h2112h211112galactitol
+GalAhexald367158?2112A111110galacturonic acid
+GalA-olhexol11h2112A211110galactitol uronic acid (same as galactonic acid with inverted D
+GalNhexald22?2112h_2*N1111122-amino-2-deoxygalactose
+Gallicnsu* 3219*7OC(CC^ECC^ZCC^E$4)/8O*5/7O*4/6O*3/3=O01000103,4,5-trihydroxybenzoic (gallic) acid
+Gcnsu*lip11*1OCCO*2/3=O02glycolic (2-hydroxyacetic) acid
+Gentnsu* 44*7OC(CC^ECC^ECC^Z$4)/8O*5/5O*2/3=O00110102,5-dihydroxybenzoic (gentisic) acid
+Glchexald70033939?2122h111112glucose
+Glc-olhexol8787h2122h211112glucitol
+Glc1Nhexald88?2122h_1*N1111121-amino-1-deoxyglucose
+GlcAhexald955804?2122A111110glucuronic acid
+GlcNhexald1010701?2122h_2*N1111122-amino-2-deoxyglucose
+GlcN-olhexol2727h2122h_2*N2111122-amino-2-deoxyglucitol
+Glunsupep22A2ddA_2*N01220glutamic acid
+Glynsu*pep11Ah_2*N02glycine
+Glycyrrheticnsu* 3232@glycerrhetic~221012201001002201202223333330enoxolone, glycyrrhetic (glycyrrhetinic) acid (http://en.wikipedia.org/wiki/Glycyrrhetinic_acid)
+Grotriol6262h2h212glycerol (always change -3)LGro to -1)DGro !). L-Gro = sn-Gro
+GulAhexald42?2212A111110guluronic acid
+HEXhex*sug11QQQQQQ superclass: hexose
+Hexhexsug22 alias: hexose
+Hxmva*alk11*OCCCCCC222223hexanol
+Hxomva*lip44*OCCCCCC/3=O022223hexanoic acid - C6:0
+Hypnsupep84A2dxh_2-5*N*01212hydroxyproline (two isomers)
+iButmva*lip2013*OCCC/4C/3=O0133isobutyric acid - C4:0
+Ilensupep22A2ddm_2*N_3*C011233isoleucine
+INOnsu* 3533QQQQQQ superclass: any inositol
+iVlmva*lip11*OCCCC/5C/3=O02133isovaleric acid - C5:0
+Jalnsu*lip3330*1OCCCCCCCCCCC^SCCCCC/13O*11/3=O022222222212222311S-hydroxy-hexadecanoic (jalapinolic) acid - C16:0
+Kdooct*ket22A?d1122h002111123-deoxy-D-manno-oct-2-ulosonic (ketodeoxyoctonic) acid
+Laumva*lip66*OCCCCCCCCCCCC/3=O022222222223lauric (dodecanoic) acid - C12:0
+LDglcOct-3-ulooct*ket11h2?1221h21011112L-glycero-D-gluco-3-octulose (3-8 pyranose cycle)
+LIPnsu* 6942A superclass: lipid residue
+Lysnsupep21A2dddh_2*N_6*N012222lysine
+Lyxpenald11?112h11112lyxose
+Malnsu* 5050*OCCCO*/5=O/3=O020malonic acid (HOOC-CH2-COOH)
+Manhexald54331786?1122h111112mannose
+Man-olhexol3535h1122h211112mannitol
+Man1Nhexald33?1122h_1*N1111121-amino-1-deoxymannose
+ManAhexald63?1122A111110mannuronic acid
+ManNhexald11?1122h_2*N1111122-amino-2-deoxymannose
+Memva*alk1731772*OC3methanol
+Metnsupep11A2dh_2*N_4*SC01223methionine
+myoInonsu*ino5353111212111111myo-inositol (cis-1,2,3,5-trans-4,6-cyclohexanehexol) [2OH ax, other OH eq]
+Myrmva*lip21*OCCCCCCCCCCCCCC/3=O02222222222223myristic (tetradecanoic) acid - C14:0
+Neunon*ket11A?d21122h_5*N0021111125-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid (neuraminic) acid
+Ocomva*lip44*OCCCCCCCC/3=O02222223octanoic acid - C8:0
+Olemva*lip11*OCCCCCCCCC=^ZCCCCCCCCC/3=O022222221122222223oleic (cis-9-octadecenoic) acid - C18:1{9Z}
+Oleanolicnsu* 250250@oleanolic~221012201021002201202233333033oleanolic (oleanic) acid (http://en.wikipedia.org/wiki/Oleanolic_acid)
+Pnsu* 216151*OPO*/3O/3=O phosphoric acid
+Pammva*lip139*OCCCCCCCCCCCCCCCC/3=O0222222222222223palmitic (hexadecanoic) acid - C16:0
+pCoumnsu* 134123*9OCC=^EC(CC^ZCC^ECC^Z$4)/9O*4/3=O011011110p-coumaric (E-3-(4-hydroxyphenyl)-2-propenoic) acid
+phSphnsu*sph22*1OCC^SC^SC^RCCCCCCCCCC/6O*4/5O*3/4N*2 any phytosphingosine (2S,3S,4R-2-amino-1,3,4-triol)
+phSphC18nsu*sph2020*1OCC^SC^SC^RCCCCCCCCCCCCCC/6O*4/5O*3/4N*2211122222222222223phytosphingosine, phytosphinganine (2S,3S,4R-2-amino-octadecane-1,3,4-triol) (phytosphingenine)
+phSphC20nsu*sph33*1OCC^SC^SC^RCCCCCCCCCCCCCCCC/6O*4/5O*3/4N*221112222222222222223icosasphingosine, icosaphytosphinganine (2S,3S,4R-2-amino-icosadecane-1,3,4-triol) (icosaphytosphingenine)
+Polygalacicnsu* 5757@polygalacic~211012201021002101202223333033polygalacic (2b,3b,4a,16a)-2,3,16,23-tetrahydroxy-olean-12-en-28-oic) acid (atom numbering: http://patentimages.storage.googleapis.com/EP2011517A1/imgf0003.png)
+Prcatnsu* 11*7OC(CC^ECC^ECC^Z$4)/7O*4/6O*3/3=O01001103,4-dihydroxybenzoic (protocatechuic) acid
+Pronsupep52A2ddh_2-5*N*01222proline
+Pyrnsu 11*OC^XO*/3CO/6=O/3C0032-oxopropanoic (pyruvic) acid acetal (substituent: 1-carboxyethylidene)
+Quihexald8073?2122m1111136-deoxyglucose (quinovose)
+Rhahexald22581600?1122m1111136-deoxymannose (rhamnose)
+Rha-olhexol2020h1122m2111136-deoxy-D-mannitol (D-rhamnitol?), 1-deoxy-D-mannitol (L-rhamnitol?)
+Ribpenald1212?222h11112ribose
+Rib-olpenol22h222h21112ribitol
+ribHex-3-ulohexald11?2U22h110112ribo-hexos-3-ulose
+S6Quihexald44?2122m_6*SO/2=O/2=O1111126-sulphoquinovose (with C-S bond)
+Snsu* 2725*OSO*/3=O/3=O sulfuric acid
+Salnsu* 44*7OC(CC^ECC^ZCC^Z$4)/5O*2/3=O00111102-hydroxybenzoic (salicylic) acid
+Sernsupep2017A2h_2*N012serine
+Sinnsu* 4942*9OCC=^EC(CC^ECC^ZCC^E$4)/10OC/9O*4/8OC/3=O01000111033sinapic/sinapinic (E-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic) acid
+Sphnsu*sph1010*1OCC^SC^RC=^ECCCCCCCCCC/5O*3/4N*2 any sphingosine, any sphingenine (2S,3R,4E-2-amino-4-en-1,3-diol) (4E-sphingenine)
+Stemva*lip44*OCCCCCCCCCCCCCCCCCC/3=O022222222222222223stearic (octadecanoic) acid - C18:0
+Subst1 * 139126@Subst1 alias: another substituent
+Subst2 * 9695@Subst2 alias: another substituent
+Subst3 * 77@Subst3 alias: another substituent
+Subst * 30833074@Subst alias: another substituent
+Sucnsu* 44*OCCCCO*/6=O/3=O0220succinic acid (HOOC-CH2-CH2-COOH)
+SUG *sug3819 superclass: any monosaccharide
+Sug sug22 alias: any monosaccharide
+Thrnsupep1515A21m_2*N0113threonine (2S,3R)
+Thre-oltetol44h12h2112threitol
+Tigmva*lip1010*OCC=^ECC/4C/3=O00133(E)-2-methylbut-2-enoic (tiglic) acid - C5:1
+Tyrnsupep22A2_2*N_2*C(CC^ZCC^ZCC^Z$3)/6O012011011tyrosine
+Valnsupep73A2dm_2*N_3*C01133valine
+Vlmva*lip33*OCCCCC/3=O02223valeric acid - C5:0
+Xylpenald24981409?212h11112xylose

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

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

Type is a structural class of the residue:

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

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

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

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

Description are the residue IUPAC name and other notes.

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

An icon is a link to corresponding MonosaccharideDB entry.


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