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CHEBI:63015 - α-D-Galp-(1→4)-β-D-Galp-O(CH2)2S(CH2)2CO2Me

ChEBI IDCHEBI:63015
ChEBI Nameα-D-Galp-(1→4)-β-D-Galp-O(CH2)2S(CH2)2CO2Me
Stars
ASCII Namealpha-D-Galp-(1->4)-beta-D-Galp-O(CH2)2S(CH2)2CO2Me
DefinitionA glycoside that consists of α-D-galactosyl-(1→4)-β-D-galactose having a 2-(2-methoxycarbonylethylthio)ethyl (CETE) moiety attached to the reducing end anomeric centre.
Last Modified6 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H32O13S
Net Charge0
Average Mass488.508
Monoisotopic Mass488.15636
SMILESCOC(=O)CCSCCO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H32O13S/c1-27-10(21)2-4-32-5-3-28-17-15(26)13(24)16(9(7-20)30-17)31-18-14(25)12(23)11(22)8(6-19)29-18/h8-9,11-20,22-26H,2-7H2,1H3/t8-,9-,11+,12+,13-,14-,15-,16+,17-,18-/m1/s1
InChIKeyWUKMGDDIIPRPIT-IUFQMOGLSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Galp-(1→4)-β-D-Galp-O(CH2)2S(CH2)2CO2Me (CHEBI:63015) is a aliphatic sulfide (CHEBI:22327)
α-D-Galp-(1→4)-β-D-Galp-O(CH2)2S(CH2)2CO2Me (CHEBI:63015) is a carbohydrate acid ester (CHEBI:37696)
α-D-Galp-(1→4)-β-D-Galp-O(CH2)2S(CH2)2CO2Me (CHEBI:63015) is a disaccharide derivative (CHEBI:63353)
α-D-Galp-(1→4)-β-D-Galp-O(CH2)2S(CH2)2CO2Me (CHEBI:63015) is a glycoside (CHEBI:24400)
α-D-Galp-(1→4)-β-D-Galp-O(CH2)2S(CH2)2CO2Me (CHEBI:63015) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl 3-[(2-{[α-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl]oxy}ethyl)sulfanyl]propanoate
Synonyms  Source
α-D-Gal-(1→4)-β-D-Gal-O-CETEChEBI
α-D-Gal-(1→4)-β-D-Gal-O(CH2)2S(CH2)2CO2MeChEBI
α-D-Galp-(1→4)-β-D-Galp-O-CETEChEBI
Galα1-4Galβ-O-CETEChEBI
2-(2-methoxycarbonylethylthio)ethyl α-D-galactopyranosyl-(1→4)-β-D-galactopyranosideChEBI
methyl 3-[(2-{[α-D-galactosyl-(1→4)-β-D-galactosyl]oxy}ethyl)sulfanyl]propanoateChEBI
Registry NumbersSources
Reaxys:5660241Reaxys
Citations