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CHEBI:152764 - [(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate

ChEBI IDCHEBI:152764
ChEBI Name[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H40N2O19S
Net Charge0
Average Mass668.624
Monoisotopic Mass668.19460
SMILESCC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](CO)NC(C)=O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[h2112h_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_a6-c1
InChIInChI=1S/C22H40N2O19S/c1-7(27)23-9(3-25)20(43-22-19(35)18(34)15(31)11(4-26)41-22)14(30)10(29)5-39-21-13(24-8(2)28)17(33)16(32)12(42-21)6-40-44(36,37)38/h9-22,25-26,29-35H,3-6H2,1-2H3,(H,23,27)(H,24,28)(H,36,37,38)/t9-,10+,11+,12+,13+,14-,15-,16+,17+,18-,19+,20+,21+,22-/m0/s1
InChIKeyMUOFGBMZQZEQQS-RAPVEONFSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:152764) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G66284CXGlyTouCan
G66284CXGlyGen