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CHEBI:152341 - (2S,4S,5R,6R)-4-Acetyloxy-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-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:152341
ChEBI Name(2S,4S,5R,6R)-4-Acetyloxy-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-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC25H41NO21
Net Charge0
Average Mass691.589
Monoisotopic Mass691.21711
SMILESCC(=O)O[C@H]1C[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)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)CO
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_4*OCC/3=O_5*NCCO/3=O]/1-2-3/a4-b1_b3-c2
InChIInChI=1S/C25H41NO21/c1-7(31)42-9-2-25(24(40)41,46-20(14(34)8(32)3-27)13(9)26-12(33)6-30)47-21-15(35)10(4-28)44-23(18(21)38)45-19-11(5-29)43-22(39)17(37)16(19)36/h8-11,13-23,27-30,32,34-39H,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+/m1/s1
InChIKeyDYFWHUDULVFBKE-QTZNTWCESA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R,6R)-4-Acetyloxy-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-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:152341) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
4-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
NeuGc4Ac(a2-3)Gal(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G61420QMGlyGen
G61420QMGlyTouCan