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CHEBI:148533 - [(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-2-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4-sulfooxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

ChEBI IDCHEBI:148533
ChEBI Name[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-2-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4-sulfooxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO22S2
Net Charge0
Average Mass705.619
Monoisotopic Mass705.10921
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](OS(=O)(=O)O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1OS(=O)(=O)O
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5_3*OSO/3=O/3=O][a2112h-1b_1-5_2*NCC/3=O_3*OSO/3=O/3=O]/1-2-3/a4-b1_b4-c1
InChIInChI=1S/C20H35NO22S2/c1-5(25)21-9-16(42-44(31,32)33)10(26)6(2-22)38-19(9)41-15-8(4-24)39-20(13(29)17(15)43-45(34,35)36)40-14-7(3-23)37-18(30)12(28)11(14)27/h6-20,22-24,26-30H,2-4H2,1H3,(H,21,25)(H,31,32,33)(H,34,35,36)/t6-,7-,8-,9-,10+,11-,12-,13-,14-,15+,16-,17-,18-,19+,20+/m1/s1
InChIKeyFNVZPWQNLOBGDG-UTTRDMJZSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-2-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4-sulfooxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate (CHEBI:148533) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
GalNAc3S(b1-4)Gal3S(b1-4)b-GlcSUBMITTER
2-acetamido-2-deoxy-3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G28868PLGlyTouCan
G28868PLGlyGen