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CHEBI:152283 - [(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate

ChEBI IDCHEBI:152283
ChEBI Name[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](CO)NC(C)=O)[C@@H]2O)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_b3-c1
InChIInChI=1S/C22H40N2O19S/c1-7(28)23-9(3-25)19(14(31)10(30)4-26)42-22-18(35)20(16(33)11(5-27)40-22)43-21-13(24-8(2)29)17(34)15(32)12(41-21)6-39-44(36,37)38/h9-22,25-27,30-35H,3-6H2,1-2H3,(H,23,28)(H,24,29)(H,36,37,38)/t9-,10+,11+,12+,13+,14-,15+,16-,17+,18+,19+,20-,21-,22-/m0/s1
InChIKeyYRWUUISOBBCZIV-AUMNGZMBSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:152283) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G61094XYGlyTouCan
G61094XYGlyGen