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CHEBI:146089 - β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-Galp

ChEBI IDCHEBI:146089
ChEBI Nameβ-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-Galp
Stars
ASCII Namebeta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-D-Galp
DefinitionA branched amino pentasaccharide that is D-galactopyranose which has been glycosylated at positions 3 and 6 by 2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-β-D-glucopyranosyl groups.
Last Modified13 February 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](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,5,4/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2-3/a3-b1_a6-d1_b3-c1_d4-e1
InChIInChI=1S/C34H58N2O26/c1-8(41)35-15-21(47)27(60-33-24(50)22(48)17(43)10(3-37)57-33)13(6-40)59-31(15)54-7-14-20(46)29(26(52)30(53)55-14)62-32-16(36-9(2)42)28(19(45)12(5-39)56-32)61-34-25(51)23(49)18(44)11(4-38)58-34/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
InChIKeyLRDBDKBCQVPESG-NTBDONDDSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-Galp (CHEBI:146089) is a amino pentasaccharide (CHEBI:59268)
IUPAC Names 
Gal(b1-3)GlcNAc(b1-3)[Gal(b1-4)GlcNAc(b1-6)]Gal
β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-D-galactopyranose
Synonyms  Source
β-D-galacto-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)-[β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)]-D-galacto-hexopyranoseIUPAC
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G00594CDGlyTouCan
G00802KEGG GLYCAN
G00594CDGlyGen