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CHEBI:147565 - N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5R)-6-[(2R,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,2,4,5-tetrahydroxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:147565
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5R)-6-[(2R,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,2,4,5-tetrahydroxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H50N2O21
Net Charge0
Average Mass750.701
Monoisotopic Mass750.29061
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]2NC(C)=O)[C@@H](O)CO)O[C@H](CO)[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][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-2-3/a3-b1_a6-c1_c4-d1
InChIInChI=1S/C28H50N2O21/c1-8(35)29-15-20(42)18(40)12(4-32)47-27(15)50-24(10(37)3-31)17(39)11(38)7-46-26-16(30-9(2)36)21(43)25(14(6-34)49-26)51-28-23(45)22(44)19(41)13(5-33)48-28/h10-28,31-34,37-45H,3-7H2,1-2H3,(H,29,35)(H,30,36)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20+,21+,22-,23+,24+,25+,26+,27-,28-/m0/s1
InChIKeyHQBWUIFOGDKUIJ-SHQXIXCISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5R)-6-[(2R,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,2,4,5-tetrahydroxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:147565) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G14043TFGlyTouCan
G14043TFGlyGen