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CHEBI:147892 - α-D-GlcpNAc-(1→3)-[α-D-Glcp-(1→2)]-D-Galp

ChEBI IDCHEBI:147892
ChEBI Nameα-D-GlcpNAc-(1→3)-[α-D-Glcp-(1→2)]-D-Galp
Stars
ASCII Namealpha-D-GlcpNAc-(1->3)-[alpha-D-Glcp-(1->2)]-D-Galp
DefinitionAn amino trisaccharide that is D-galactopyranose in which the hydroxy groups at positions 2 and 3 have been converted into the corresponding α-D-glucopyranosyl and 2-acetamido-2-deoxy-α-D-glucopyranosyl derivatives, respectively.
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)OC(O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2112h-1x_1-5][a2122h-1a_1-5][a2122h-1a_1-5_2*NCC/3=O]/1-2-3/a2-b1_a3-c1
InChIInChI=1S/C20H35NO16/c1-5(25)21-9-13(29)10(26)6(2-22)34-19(9)36-16-12(28)8(4-24)33-18(32)17(16)37-20-15(31)14(30)11(27)7(3-23)35-20/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
InChIKeySDJOIRFTOQPRGU-FDSXMYPUSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GlcpNAc-(1→3)-[α-D-Glcp-(1→2)]-D-Galp (CHEBI:147892) is a acetamides (CHEBI:22160)
α-D-GlcpNAc-(1→3)-[α-D-Glcp-(1→2)]-D-Galp (CHEBI:147892) is a amino trisaccharide (CHEBI:59266)
IUPAC Names 
Glc(a1-2)[GlcNAc(a1-3)]Gal
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→3)-[α-D-glucopyranosyl-(1→2)]-D-galactopyranose
Synonyms  Source
α-D-gluco-hexopyranosyl-(1→2)-[2-acetamido-2-deoxy-α-D-gluco-hexopyranosyl-(1→3)]-D-galacto-hexopyranoseIUPAC
N-[(2R,3R,4R,5S,6R)-2-[(3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G18374MWGlyTouCan
G09875KEGG GLYCAN
G18374MWGlyGen