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CHEBI:155276 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:155276
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-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](OC[C@@H](O)[C@H](O)[C@H](O)[C@H](CO)NC(C)=O)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[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4/a6-b1_b3-c1_b4-d1
InChIInChI=1S/C28H50N2O20/c1-8-16(37)20(41)22(43)27(46-8)50-25-15(30-10(3)35)26(45-7-12(36)18(39)17(38)11(4-31)29-9(2)34)48-14(6-33)24(25)49-28-23(44)21(42)19(40)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
InChIKeyAYQKFSIGWZDZDF-UXQDELJYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:155276) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G97850YTGlyTouCan
G97850YTGlyGen