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CHEBI:154869 - [(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate

ChEBI IDCHEBI:154869
ChEBI Name[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-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
FormulaC28H50N2O24S
Net Charge0
Average Mass830.765
Monoisotopic Mass830.24742
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]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3-2/a3-b1_a6-c1_c4-d1
InChIInChI=1S/C28H50N2O24S/c1-8(34)29-10(3-31)24(53-27-22(43)20(41)17(38)12(4-32)50-27)16(37)11(36)6-48-26-15(30-9(2)35)19(40)25(14(52-26)7-49-55(45,46)47)54-28-23(44)21(42)18(39)13(5-33)51-28/h10-28,31-33,36-44H,3-7H2,1-2H3,(H,29,34)(H,30,35)(H,45,46,47)/t10-,11+,12+,13+,14+,15+,16-,17-,18-,19+,20-,21-,22+,23+,24+,25+,26+,27-,28-/m0/s1
InChIKeyTWPXTRHVFLQJRE-SNGQWRALSA-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-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:154869) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G87514QJGlyTouCan
G87514QJGlyGen