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CHEBI:62950 - β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-β-D-Galp

ChEBI IDCHEBI:62950
ChEBI Nameβ-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-β-D-Galp
Stars
ASCII Namebeta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-beta-D-Galp
Definitionβ-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-Galp in which the configuration of the D-galactosyl residue at the reducing end is β.
Last Modified13 April 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC34H58N2O26
Net Charge0
Average Mass910.826
Monoisotopic Mass910.32778
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[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=2.0/2,5,4/[a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-1-2-1/a3-b1_a6-d1_b4-c1_d4-e1
InChIInChI=1S/C34H58N2O26/c1-8(41)35-15-20(46)27(60-33-24(50)22(48)17(43)10(3-37)56-33)12(5-39)58-31(15)54-7-14-19(45)29(26(52)30(53)55-14)62-32-16(36-9(2)42)21(47)28(13(6-40)59-32)61-34-25(51)23(49)18(44)11(4-38)57-34/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
InChIKeyWVQZPJCYAFFWHK-RBWQKSDLSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-β-D-Galp (CHEBI:62950) is a β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-D-Galp (CHEBI:62188)
IUPAC Name 
β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-β-D-galactopyranose
Synonym  Source
I pentasaccharideChEBI
Manual XrefsDatabases
G47715OEGlyTouCan
G47715OEGlyGen
Citations