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CHEBI:149141 - (2S,4S,5R,6R)-5-Amino-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:149141
ChEBI Name(2S,4S,5R,6R)-5-Amino-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
Last Modified26 May 2020
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@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O
InChIInChI=1S/C21H37NO18/c22-9-5(26)1-21(20(34)35,39-16(9)10(28)6(27)2-23)40-17-11(29)7(3-24)37-19(14(17)32)38-15-8(4-25)36-18(33)13(31)12(15)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
InChIKeyOOPUZBSIELXNQR-KQAMEPEISA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-5-Amino-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:149141) is a neuraminic acids (CHEBI:25508)
Synonyms  Source
5-amino-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
Neu(a2-3)Gal(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G31135WMGlyTouCan
G31135WMGlyGen