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CHEBI:157535 - N-[(3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide

Default Structure
ChEBI IDCHEBI:157535
ChEBI NameN-[(3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H48N2O21
Net Charge0
Average Mass748.685
Monoisotopic Mass748.27496
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5]/1-2-3-4/a6-b1_b4-c1_c4-d1
InChIInChI=1S/C28H48N2O21/c1-7(34)29-13-17(38)16(37)12(46-25(13)44)6-45-26-14(30-8(2)35)18(39)23(10(4-32)48-26)50-28-22(43)20(41)24(11(5-33)49-28)51-27-21(42)19(40)15(36)9(3-31)47-27/h9-28,31-33,36-44H,3-6H2,1-2H3,(H,29,34)(H,30,35)/t9-,10-,11-,12-,13-,14-,15+,16+,17-,18-,19+,20-,21-,22-,23-,24+,25?,26-,27-,28+/m1/s1
InChIKeyHICIVIOGGRFVNC-KXRNCBRGSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide (CHEBI:157535) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
alpha-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Gal(a1-4)Gal(b1-4)GlcNAc(b1-6)GalNAcSUBMITTER
Manual XrefsDatabases
G79017QZGlyTouCan
G79017QZGlyGen