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CHEBI:153961 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-5-Acetamido-4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:153961
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-5-Acetamido-4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H61N3O26
Net Charge0
Average Mass951.879
Monoisotopic Mass951.35433
SMILESCC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@@H]3CO)O[C@H](CO)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/4,5,4/[a2112h-1x_1-5][a2122h-1a_1-5][a2112h-1a_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-3-4/a4-b1_b4-c1_c3-d1_c4-e1
InChIInChI=1S/C36H61N3O26/c1-9(45)37-17-22(50)20(48)12(4-40)58-33(17)64-30-16(8-44)60-35(19(39-11(3)47)31(30)65-34-18(38-10(2)46)23(51)21(49)13(5-41)59-34)62-29-15(7-43)61-36(27(55)25(29)53)63-28-14(6-42)57-32(56)26(54)24(28)52/h12-36,40-44,48-56H,4-8H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27-,28+,29-,30+,31-,32?,33-,34-,35-,36-/m1/s1
InChIKeyOEBXPKKVUIKLBK-PMMSFFOHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6R)-5-Acetamido-4-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:153961) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->4)-alpha-D-gluco-hexopyranosyl-(1->4)-D-galacto-hexopyranoseSUBMITTER
GalNAc(a1-3)[GlcNAc(a1-4)]GalNAc(a1-4)Glc(a1-4)GalSUBMITTER
Manual XrefsDatabases
G78171YLGlyTouCan