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CHEBI:146991 - N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3R,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:146991
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3R,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H53N3O21
Net Charge0
Average Mass791.754
Monoisotopic Mass791.31716
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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2/a6-b1_b4-c1_c3-d1
InChIInChI=1S/C30H53N3O21/c1-9(38)31-12(4-34)19(42)20(43)13(41)8-49-28-18(33-11(3)40)24(47)26(16(7-37)52-28)53-30-25(48)27(22(45)15(6-36)51-30)54-29-17(32-10(2)39)23(46)21(44)14(5-35)50-29/h12-30,34-37,41-48H,4-8H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)/t12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28+,29-,30-/m0/s1
InChIKeyJOWMWYLIOYWSIU-HRJDBTAOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3R,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:146991) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G06435TQGlyTouCan
G06435TQGlyGen