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CHEBI:62951 - α-D-Gal-(1→3)-α-D-Gal-(1→4)-D-GlcNAc-(CH2)5CO2H

ChEBI IDCHEBI:62951
ChEBI Nameα-D-Gal-(1→3)-α-D-Gal-(1→4)-D-GlcNAc-(CH2)5CO2H
Stars
ASCII Namealpha-D-Gal-(1->3)-alpha-D-Gal-(1->4)-D-GlcNAc-(CH2)5CO2H
DefinitionA glycoside that consists of α-D-galactosyl-(1→3)-α-D-galactosyl-(1→4)-N-acetyl-D-glucosamine in which the hydrogen at the reducing end is substituted by a carboxypentyl group.
Last Modified20 September 2012
SubmitterSteve
DownloadsMolfile
FormulaC26H45NO18
Net Charge0
Average Mass659.635
Monoisotopic Mass659.26366
SMILESCC(=O)N[C@H]1C(OCCCCCC(=O)O)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
InChIInChI=1S/C26H45NO18/c1-10(31)27-15-18(36)22(13(9-30)43-24(15)40-6-4-2-3-5-14(32)33)44-26-21(39)23(17(35)12(8-29)42-26)45-25-20(38)19(37)16(34)11(7-28)41-25/h11-13,15-26,28-30,34-39H,2-9H2,1H3,(H,27,31)(H,32,33)/t11-,12-,13-,15-,16+,17+,18-,19+,20-,21-,22-,23+,24?,25-,26-/m1/s1
InChIKeyCBMDCZQUSNWPJM-VDYSRVKASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
α-D-Gal-(1→3)-α-D-Gal-(1→4)-D-GlcNAc-(CH2)5CO2H (CHEBI:62951) is a glycoside (CHEBI:24400)
α-D-Gal-(1→3)-α-D-Gal-(1→4)-D-GlcNAc-(CH2)5CO2H (CHEBI:62951) is a monocarboxylic acid (CHEBI:25384)
α-D-Gal-(1→3)-α-D-Gal-(1→4)-D-GlcNAc-(CH2)5CO2H (CHEBI:62951) is a trisaccharide derivative (CHEBI:63571)
IUPAC Name 
6-{[α-D-galactopyranosyl-(1→3)-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranosyl]oxy}hexanoic acid
Synonyms  Source
α-D-Galp-(1→3)-α-D-Galp-(1→4)-D-GlcpNAc-(CH2)5CO2H pChEBI
6-{[α-D-galactosyl-(1→3)-α-D-galactosyl-(1→4)-N-acetyl-D-glucosaminyl]oxy}hexanoic acidChEBI
Citations