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CHEBI:148174 - α-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-D-Glcp

ChEBI IDCHEBI:148174
ChEBI Nameα-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-D-Glcp
Stars
ASCII Namealpha-D-GalpNAc-(1->3)-beta-D-Galp-(1->3)-D-Glcp
DefinitionAn amino trisaccharide consisting of 2-acetamido-2-deoxy-α-D-galactopyranose, β-D-galactopyranose and D-glucopyranose joined in sequence by (1→3) glycosidic bonds.
Last Modified19 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO16
Net Charge0
Average Mass545.491
Monoisotopic Mass545.19558
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](CO)OC(O)[C@@H]3O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1x_1-5][a2112h-1b_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3/a3-b1_b3-c1
InChIInChI=1S/C20H35NO16/c1-5(25)21-9-13(29)10(26)6(2-22)34-19(9)36-17-12(28)8(4-24)35-20(15(17)31)37-16-11(27)7(3-23)33-18(32)14(16)30/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
InChIKeyHWZFERSJAZXECC-JYAGVBFXSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-D-Glcp (CHEBI:148174) is a oligosaccharide (CHEBI:50699)
IUPAC Names 
GalNAc(a1-3)Gal(b1-3)Glc
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→3)-D-glucopyranose
Synonyms  Source
2-acetamido-2-deoxy-α-D-galacto-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→3)-D-gluco-hexopyranoseIUPAC
N-[(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G19340FVGlyTouCan
G08768KEGG GLYCAN
G19340FVGlyGen