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CHEBI:148030 - [(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

ChEBI IDCHEBI:148030
ChEBI Name[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO19S
Net Charge0
Average Mass625.555
Monoisotopic Mass625.15240
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](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][a2112h-1b_1-5_2*NCC/3=O_3*OSO/3=O/3=O]/1-2-3/a4-b1_b4-c1
InChIInChI=1S/C20H35NO19S/c1-5(25)21-9-17(40-41(32,33)34)10(26)6(2-22)36-19(9)38-16-8(4-24)37-20(14(30)12(16)28)39-15-7(3-23)35-18(31)13(29)11(15)27/h6-20,22-24,26-31H,2-4H2,1H3,(H,21,25)(H,32,33,34)/t6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16+,17-,18-,19+,20+/m1/s1
InChIKeyNTIRDYSZMLPSPS-JKEPNSHNSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate (CHEBI:148030) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
2-acetamido-2-deoxy-3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranoseSUBMITTER
GalNAc3S(b1-4)Gal(b1-4)b-GlcSUBMITTER
Manual XrefsDatabases
G15948XYGlyGen
G15948XYGlyTouCan