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CHEBI:150083 - [(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

ChEBI IDCHEBI:150083
ChEBI Name[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H25NO14S
Net Charge0
Average Mass463.414
Monoisotopic Mass463.09958
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_2*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C14H25NO14S/c1-4(18)15-7-9(20)11(6(3-17)26-13(7)22)28-14-12(29-30(23,24)25)10(21)8(19)5(2-16)27-14/h5-14,16-17,19-22H,2-3H2,1H3,(H,15,18)(H,23,24,25)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1
InChIKeyOGXRAUCGICJZBD-LODBTCKLSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate (CHEBI:150083) is a amino sugar (CHEBI:28963)
Synonyms  Source
Gal2S(b1-4)b-GlcNAcSUBMITTER
2-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G37532DXGlyTouCan
G37532DXGlyGen