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CHEBI:150491 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6S)-6-[[(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5S)-5-Acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:150491
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6S)-6-[[(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5S)-5-Acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-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]2O[C@H](OC[C@H]3O[C@@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[h2122h_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b6-c1_c6-d1
InChIInChI=1S/C28H50N2O21/c1-8(34)29-10(3-31)16(37)25(11(36)4-32)51-28-24(45)22(43)19(40)14(50-28)7-47-27-23(44)21(42)18(39)13(49-27)6-46-26-15(30-9(2)35)20(41)17(38)12(5-33)48-26/h10-28,31-33,36-45H,3-7H2,1-2H3,(H,29,34)(H,30,35)/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24-,25+,26+,27-,28-/m0/s1
InChIKeyBZGWGSNVCUITGI-IDKIUVENSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6S)-6-[[(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5S)-5-Acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:150491) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G39272POGlyTouCan
G39272POGlyGen