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CHEBI:152076 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-1,2,6-trihydroxy-4-[(2S,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:152076
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-1,2,6-trihydroxy-4-[(2S,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]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](CO)NC(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=2.0/4,4,3/[h2122h_2*NCC/3=O][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-2-3-4/a3-b1_a4-c1_c4-d1
InChIInChI=1S/C28H50N2O20/c1-8-16(38)19(41)21(43)27(45-8)48-23(11(4-31)29-9(2)35)24(12(37)5-32)49-26-15(30-10(3)36)18(40)25(14(7-34)47-26)50-28-22(44)20(42)17(39)13(6-33)46-28/h8,11-28,31-34,37-44H,4-7H2,1-3H3,(H,29,35)(H,30,36)/t8-,11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23+,24+,25+,26-,27-,28-/m0/s1
InChIKeyFCNDAMQQAUIPBA-REYJWWDESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-1,2,6-trihydroxy-4-[(2S,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:152076) is a N-acyl-hexosamine (CHEBI:21656)
Manual XrefsDatabases
G59946TOGlyTouCan
G59946TOGlyGen