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CHEBI:131457 - α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAcO[CH2]2C≡CH

ChEBI IDCHEBI:131457
ChEBI Nameα-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAcO[CH2]2C≡CH
Stars
ASCII Namealpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAcO[CH2]2C#CH
DefinitionA trisaccharide derivative that is the but-3-yn-1-yl glycoside of α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc.
Last Modified7 March 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H39NO16
Net Charge0
Average Mass597.567
Monoisotopic Mass597.22688
SMILESC#CCCO[C@@H]1O[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](O)[C@H]1NC(C)=O
InChIInChI=1S/C24H39NO16/c1-3-4-5-36-22-13(25-9(2)29)16(32)20(12(8-28)39-22)40-24-19(35)21(15(31)11(7-27)38-24)41-23-18(34)17(33)14(30)10(6-26)37-23/h1,10-24,26-28,30-35H,4-8H2,2H3,(H,25,29)/t10-,11-,12-,13-,14+,15+,16-,17+,18-,19-,20-,21+,22-,23-,24+/m1/s1
InChIKeyHPLNDEHXRWEBGZ-TVOUMOCSSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAcO[CH2]2C≡CH (CHEBI:131457) has functional parent but-3-yn-1-ol (CHEBI:27444)
α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAcO[CH2]2C≡CH (CHEBI:131457) is a trisaccharide derivative (CHEBI:63571)
α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAcO[CH2]2C≡CH (CHEBI:131457) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
but-3-yn-1-yl α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranoside
Synonyms  Source
but-3-yn-1-yl α-D-galactosyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminideChEBI
3-butynyl α-D-galactosyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminideChEBI
α-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc-OCH2CH2C≡CHChEBI
α-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAcO[CH2]2C≡CHChEBI
Galα1-3Galβ1-4GlcNAcβOCH2CH2C≡CHChEBI
Galα(1,3)Galβ(1,4)GlcNAcβOCH2CH2C≡CHChEBI
Citations