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CHEBI:153526 - N-[(2S,3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:153526
ChEBI NameN-[(2S,3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO16
Net Charge0
Average Mass545.491
Monoisotopic Mass545.19558
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]3O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-2/a3-b1_b3-c1
InChIInChI=1S/C20H35NO16/c1-5(25)21-9-16(11(27)7(3-23)33-18(9)32)36-20-15(31)17(12(28)8(4-24)35-20)37-19-14(30)13(29)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11+,12+,13+,14-,15-,16-,17+,18+,19+,20+/m1/s1
InChIKeyCGMBNPCAOYSHCK-RJVNOACHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5R,6R)-4-[(2R,3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:153526) is a amino sugar (CHEBI:28963)
Synonyms  Source
Gal(b1-3)Gal(b1-3)a-GalNAcSUBMITTER
beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G70693FXGlyTouCan
G70693FXGlyGen