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CHEBI:150776 - [(2R,3R,4S,5S,6R)-2-[(3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

ChEBI IDCHEBI:150776
ChEBI Name[(2R,3R,4S,5S,6R)-2-[(3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H25NO14S
Net Charge0
Average Mass463.414
Monoisotopic Mass463.09958
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2/a3-b1
InChIInChI=1S/C14H25NO14S/c1-4(18)15-7-11(8(19)5(2-16)26-13(7)22)28-14-10(21)12(29-30(23,24)25)9(20)6(3-17)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
InChIKeyJWSDQIUWYOEXRI-STAIZENMSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3R,4S,5S,6R)-2-[(3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate (CHEBI:150776) is a amino sugar (CHEBI:28963)
Synonyms  Source
Gal3S(b1-3)GlcNAcSUBMITTER
3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G42938PVGlyTouCan
G42938PVGlyGen