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CHEBI:148724 - [(2R,3R,4S,5R,6S)-6-[(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]-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate

ChEBI IDCHEBI:148724
ChEBI Name[(2R,3R,4S,5R,6S)-6-[(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]-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H50N2O27S2
Net Charge0
Average Mass910.829
Monoisotopic Mass910.20424
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](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O]/1-2-3-4/a3-b1_a6-c1_c4-d1
InChIInChI=1S/C28H50N2O27S2/c1-8(33)29-10(3-31)24(56-27-22(42)20(40)17(37)12(4-32)53-27)16(36)11(35)5-50-26-15(30-9(2)34)19(39)25(14(55-26)7-52-59(47,48)49)57-28-23(43)21(41)18(38)13(54-28)6-51-58(44,45)46/h10-28,31-32,35-43H,3-7H2,1-2H3,(H,29,33)(H,30,34)(H,44,45,46)(H,47,48,49)/t10-,11+,12+,13+,14+,15+,16-,17-,18-,19+,20-,21-,22+,23+,24+,25+,26+,27-,28-/m0/s1
InChIKeyRWXIEJAHWKSVJO-SNGQWRALSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3R,4S,5R,6S)-6-[(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]-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:148724) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G26570RBGlyTouCan
G26570RBGlyGen