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CHEBI:150133 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,4,6-trihydroxy-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:150133
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,4,6-trihydroxy-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H50N2O20
Net Charge0
Average Mass734.702
Monoisotopic Mass734.29569
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)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=2.0/4,4,3/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1221m-1a_1-5]/1-2-3-4/a4-b1_a6-d1_b4-c1
InChIInChI=1S/C28H50N2O20/c1-8-16(37)20(41)22(43)27(46-8)45-7-12(36)24(17(38)11(4-31)29-9(2)34)49-26-15(30-10(3)35)19(40)25(14(6-33)48-26)50-28-23(44)21(42)18(39)13(5-32)47-28/h8,11-28,31-33,36-44H,4-7H2,1-3H3,(H,29,34)(H,30,35)/t8-,11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24+,25+,26-,27+,28-/m0/s1
InChIKeyIWPSENBRHBTWNG-YERNAUIESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,4,6-trihydroxy-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:150133) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G37641EMGlyTouCan
G37641EMGlyGen