EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:150163 - (2R,4S,5R,6R)-5-Amino-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:150163
ChEBI Name(2R,4S,5R,6R)-5-Amino-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H37NO18
Net Charge0
Average Mass591.516
Monoisotopic Mass591.20106
SMILESN[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*N]/1-2-3/a4-b1_b6-c2
InChIInChI=1S/C21H37NO18/c22-9-5(25)1-21(20(34)35,40-17(9)10(27)6(26)2-23)36-4-8-11(28)12(29)15(32)19(38-8)39-16-7(3-24)37-18(33)14(31)13(16)30/h5-19,23-33H,1-4,22H2,(H,34,35)/t5-,6+,7+,8+,9+,10+,11-,12-,13+,14+,15+,16+,17+,18+,19-,21+/m0/s1
InChIKeyDHMOYSJTQIXOGT-VGHJGKRNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-5-Amino-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid (CHEBI:150163) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
5-amino-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
Neu(a2-6)Gal(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G40545ERGlyGen
G40545ERGlyTouCan