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CHEBI:154089 - [(2R,3S,4R,5R,6R)-5-Acetamido-4-hydroxy-6-[[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate

ChEBI IDCHEBI:154089
ChEBI Name[(2R,3S,4R,5R,6R)-5-Acetamido-4-hydroxy-6-[[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO19S
Net Charge0
Average Mass625.555
Monoisotopic Mass625.15240
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5]/1-2-3/a6-b1_b4-c1
InChIInChI=1S/C20H35NO19S/c1-5(23)21-9-12(26)17(40-20-16(30)14(28)10(24)6(2-22)38-20)8(4-36-41(32,33)34)39-19(9)35-3-7-11(25)13(27)15(29)18(31)37-7/h6-20,22,24-31H,2-4H2,1H3,(H,21,23)(H,32,33,34)/t6-,7-,8-,9-,10+,11-,12-,13+,14+,15+,16-,17-,18+,19-,20+/m1/s1
InChIKeyXAALNKLAEUHATL-FJJYYRQPSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3S,4R,5R,6R)-5-Acetamido-4-hydroxy-6-[[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:154089) is a oligosaccharide sulfate (CHEBI:37909)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-gluco-hexopyranosyl-(1->6)-alpha-D-manno-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc6S(b1-6)a-ManSUBMITTER
Manual XrefsDatabases
G75584CCGlyTouCan
G75584CCGlyGen