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CHEBI:152251 - (2S,4S,5R,6R)-6-[(1R,2R)-3-Acetyloxy-1,2-dihydroxypropyl]-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-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:152251
ChEBI Name(2S,4S,5R,6R)-6-[(1R,2R)-3-Acetyloxy-1,2-dihydroxypropyl]-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-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC25H41NO21
Net Charge0
Average Mass691.589
Monoisotopic Mass691.21711
SMILESCC(=O)OC[C@@H](O)[C@@H](O)[C@@H]1O[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](O)[C@H]1NC(=O)CO
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O_9*OCC/3=O]/1-2-3/a4-b1_b3-c2
InChIInChI=1S/C25H41NO21/c1-7(30)42-6-9(32)14(34)20-13(26-12(33)5-29)8(31)2-25(46-20,24(40)41)47-21-15(35)10(3-27)44-23(18(21)38)45-19-11(4-28)43-22(39)17(37)16(19)36/h8-11,13-23,27-29,31-32,34-39H,2-6H2,1H3,(H,26,33)(H,40,41)/t8-,9+,10+,11+,13+,14+,15-,16+,17+,18+,19+,20+,21-,22+,23-,25-/m0/s1
InChIKeyTXTGDIOILHFLJY-ZUCULDGOSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-6-[(1R,2R)-3-Acetyloxy-1,2-dihydroxypropyl]-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-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid (CHEBI:152251) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
9-O-acetyl-3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
NeuGc9Ac(a2-3)Gal(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G58201IUGlyGen
G58201IUGlyTouCan