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CHEBI:146874 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:146874
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H50N2O21
Net Charge0
Average Mass750.701
Monoisotopic Mass750.29061
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](OC2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[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-1x_1-5][a1122h-1a_1-5]/1-2-3-4/a4-b1_b4-c1_c6-d1
InChIInChI=1S/C28H50N2O21/c1-8(35)29-10(3-31)16(38)24(11(37)4-32)50-26-15(30-9(2)36)19(41)25(13(6-34)48-26)51-28-23(45)21(43)18(40)14(49-28)7-46-27-22(44)20(42)17(39)12(5-33)47-27/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
InChIKeyWTRZNHDURAWQNU-WGDOPFKMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:146874) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G08703BVGlyTouCan
G08703BVGlyGen