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CHEBI:148878 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-3-[(2S,3R,4R,5R,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:148878
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-3-[(2S,3R,4R,5R,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-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](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)OC(O)[C@@H]3O)O[C@@H]2CO)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
WURCSWURCS=2.0/4,5,4/[a2112h-1x_1-5][a2112h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2-4/a3-b1_b3-c1_b4-d1_d4-e1
InChIInChI=1S/C36H61N3O26/c1-9(45)37-17-23(51)20(48)12(4-40)58-33(17)64-30-19(39-11(3)47)35(65-31-22(50)14(6-42)57-32(56)27(31)55)61-16(8-44)29(30)63-34-18(38-10(2)46)24(52)28(15(7-43)60-34)62-36-26(54)25(53)21(49)13(5-41)59-36/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
InChIKeyMEQHMTVMRLUHDZ-HGYSIJDPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-3-[(2S,3R,4R,5R,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148878) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-[2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-D-galacto-hexopyranoseSUBMITTER
Gal(b1-4)GalNAc(b1-4)[GlcNAc(a1-3)]GalNAc(b1-3)GalSUBMITTER
Manual XrefsDatabases
G24373DOGlyTouCan
G24373DOGlyGen