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CHEBI:152704 - [(2R,3S,4R,5R,6S)-5-Acetamido-3,4-dihydroxy-6-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-2-yl]methyl hydrogen sulfate

ChEBI IDCHEBI:152704
ChEBI Name[(2R,3S,4R,5R,6S)-5-Acetamido-3,4-dihydroxy-6-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-2-yl]methyl 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]2[C@@H](O)[C@@H](CO)OC(O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2/a3-b1
InChIInChI=1S/C14H25NO14S/c1-4(17)15-7-10(20)8(18)6(3-26-30(23,24)25)28-14(7)29-12-9(19)5(2-16)27-13(22)11(12)21/h5-14,16,18-22H,2-3H2,1H3,(H,15,17)(H,23,24,25)/t5-,6-,7-,8-,9+,10-,11-,12+,13?,14+/m1/s1
InChIKeyUFRAMGUORNRYML-STAIZENMSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3S,4R,5R,6S)-5-Acetamido-3,4-dihydroxy-6-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:152704) is a N-acyl-hexosamine (CHEBI:21656)
Synonyms  Source
GlcNAc6S(b1-3)GalSUBMITTER
2-acetamido-2-deoxy-6-O-sulfo-beta-D-gluco-hexopyranosyl-(1->3)-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G66008TUGlyTouCan
G66008TUGlyGen