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CHEBI:147149 - α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-GalpNAc

ChEBI IDCHEBI:147149
ChEBI Nameα-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-GalpNAc
Stars
ASCII Namealpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-[beta-D-Galp-(1->3)]-GalpNAc
DefinitionAn amino pentasaccharide that is β-D-Galp-(1→3)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc in which the β-D-galactosyl group attached by a (1→4) linkage to an acetamidoglucopyranosyl group has glycosylated at its 3-hydroxy group by an α-D-galactopyransyl group.
Last Modified2 April 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H58N2O26
Net Charge0
Average Mass910.826
Monoisotopic Mass910.32778
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@H](CO)[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]1O
WURCSWURCS=2.0/4,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5]/1-2-3-2-4/a3-b1_a6-c1_c4-d1_d3-e1
InChIInChI=1S/C34H58N2O26/c1-8(41)35-15-21(47)27(60-34-26(52)29(19(45)12(5-39)58-34)62-33-25(51)23(49)18(44)11(4-38)57-33)13(6-40)59-31(15)54-7-14-20(46)28(16(30(53)55-14)36-9(2)42)61-32-24(50)22(48)17(43)10(3-37)56-32/h10-34,37-40,43-53H,3-7H2,1-2H3,(H,35,41)(H,36,42)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20+,21-,22+,23+,24-,25-,26-,27-,28-,29+,30?,31-,32+,33-,34+/m1/s1
InChIKeyDYYZUKHYKHBFHU-MLGXICAESA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-GalpNAc (CHEBI:147149) has functional parent β-D-Galp-(1→3)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:68586)
α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-GalpNAc (CHEBI:147149) is a acetamides (CHEBI:22160)
α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-GalpNAc (CHEBI:147149) is a amino pentasaccharide (CHEBI:59268)
α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-GalpNAc (CHEBI:147149) is a amino sugar (CHEBI:28963)
IUPAC Names 
Gal(a1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc
β-D-galactopyranosyl-(1→3)-[α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-D-galactopyranose
Synonyms  Source
α-D-galacto-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)-[β-D-galacto-hexopyranosyl-(1→3)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseIUPAC
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G07430HHGlyTouCan
G06868KEGG GLYCAN
G07430HHGlyGen