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CHEBI:148177 - N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:148177
ChEBI NameN-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H58N2O26
Net Charge0
Average Mass910.826
Monoisotopic Mass910.32778
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)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@H](O[C@H]5[C@H](O)[C@@H](O)C(O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@@H]2NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/4,5,4/[a2122h-1x_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-4/a4-b1_b4-c1_c4-d1_d3-e1
InChIInChI=1S/C34H58N2O26/c1-8(42)35-15-19(46)17(44)10(3-37)55-31(15)62-29-16(36-9(2)43)32(56-11(4-38)18(29)45)59-27-13(6-40)57-34(24(51)21(27)48)61-28-14(7-41)58-33(25(52)22(28)49)60-26-12(5-39)54-30(53)23(50)20(26)47/h10-34,37-41,44-53H,3-7H2,1-2H3,(H,35,42)(H,36,43)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29-,30?,31+,32+,33+,34-/m1/s1
InChIKeyAENIJSKKPHXZTM-FTFFOVSDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148177) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
GalNAc(b1-3)GalNAc(b1-4)Gal(a1-4)Gal(b1-4)GlcSUBMITTER
2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-alpha-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G19387QDGlyTouCan
G19387QDGlyGen