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CHEBI:152951 - N-[(2R,3R,4R,5R,6R)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:152951
ChEBI NameN-[(2R,3R,4R,5R,6R)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-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]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/3,5,4/[a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2-3/a3-b1_b3-c1_c3-d1_d3-e1
InChIInChI=1S/C36H61N3O26/c1-9(45)37-17-28(21(49)13(5-41)57-32(17)56)62-33-18(38-10(2)46)30(23(51)14(6-42)58-33)64-36-27(55)31(24(52)16(8-44)61-36)65-34-19(39-11(3)47)29(22(50)15(7-43)59-34)63-35-26(54)25(53)20(48)12(4-40)60-35/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
InChIKeyJBUDJKIMIMGGPD-UBICIPNTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5R,6R)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:152951) is a amino sugar (CHEBI:28963)
Synonyms  Source
Gal(b1-3)GlcNAc(b1-3)Gal(b1-3)GlcNAc(b1-3)b-GalNAcSUBMITTER
beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G64849QZGlyTouCan
G64849QZGlyGen