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CHEBI:61831 - β-D-Galp-(1→4)-β-D-Glcp-(1→6)-β-D-GlcpNAc-(1→3)-β-D-Galp

ChEBI IDCHEBI:61831
ChEBI Nameβ-D-Galp-(1→4)-β-D-Glcp-(1→6)-β-D-GlcpNAc-(1→3)-β-D-Galp
Stars
ASCII Namebeta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-beta-D-GlcpNAc-(1->3)-beta-D-Galp
DefinitionAn amino tetrasaccharide comprising galactose at the reducing end with a β-D-galactosyl-(1→4)-β-D-glucosyl-(1→6)-N-acetyl-β-D-glucosaminyl group attached at the 3-position.
Last Modified13 April 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H45NO21
Net Charge0
Average Mass707.632
Monoisotopic Mass707.24841
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/3,4,3/[a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5]/1-2-3-1/a3-b1_b6-c1_c4-d1
InChIInChI=1S/C26H45NO21/c1-6(31)27-11-15(35)13(33)10(46-24(11)48-22-14(34)8(3-29)43-23(41)20(22)40)5-42-25-19(39)17(37)21(9(4-30)45-25)47-26-18(38)16(36)12(32)7(2-28)44-26/h7-26,28-30,32-41H,2-5H2,1H3,(H,27,31)/t7-,8-,9-,10-,11-,12+,13-,14+,15-,16+,17-,18-,19-,20-,21-,22+,23-,24+,25-,26+/m1/s1
InChIKeyNVPDZDMVOYAZBT-VQLNLQNLSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-β-D-Glcp-(1→6)-β-D-GlcpNAc-(1→3)-β-D-Galp (CHEBI:61831) is a amino tetrasaccharide (CHEBI:59412)
β-D-Galp-(1→4)-β-D-Glcp-(1→6)-β-D-GlcpNAc-(1→3)-β-D-Galp (CHEBI:61831) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranose
Manual XrefsDatabases
G60268QLGlyTouCan
G60268QLGlyGen
Citations