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CHEBI:153764 - [(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate

ChEBI IDCHEBI:153764
ChEBI Name[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H38N2O19S
Net Charge0
Average Mass666.608
Monoisotopic Mass666.17895
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3/a3-b1_b3-c1
InChIInChI=1S/C22H38N2O19S/c1-6(27)23-11-16(32)13(29)10(5-38-44(35,36)37)41-21(11)43-19-15(31)9(4-26)40-22(17(19)33)42-18-12(24-7(2)28)20(34)39-8(3-25)14(18)30/h8-22,25-26,29-34H,3-5H2,1-2H3,(H,23,27)(H,24,28)(H,35,36,37)/t8-,9-,10-,11-,12-,13-,14+,15+,16-,17-,18-,19+,20+,21+,22+/m1/s1
InChIKeyINSVBLODZVAGRZ-GJGNTVEQSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:153764) is a oligosaccharide sulfate (CHEBI:37909)
Synonyms  Source
GlcNAc6S(b1-3)Gal(b1-3)a-GalNAcSUBMITTER
2-acetamido-2-deoxy-6-O-sulfo-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G80251DRGlyTouCan
G80251DRGlyGen