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CHEBI:53548 - methyl 3-({2-[(2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate

ChEBI IDCHEBI:53548
ChEBI Namemethyl 3-({2-[(2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate
Stars
ASCII Namemethyl 3-({2-[(2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate
DefinitionA tripartite compound comprising an α-D-Gal unit linked to β-D-GlcNAc, which is in turn linked to a CETE (2-[(2-carbomethoxyethylthio)]ethyl; 2-{[2-(methoxycarbonyl)ethylsulfanyl]}ethyl) moiety.
Last Modified13 April 2015
Submitterzjosephs
DownloadsMolfile
FormulaC20H35NO13S
Net Charge0
Average Mass529.561
Monoisotopic Mass529.18291
SMILESCOC(=O)CCSCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O
InChIInChI=1S/C20H35NO13S/c1-9(24)21-13-18(34-20-17(29)16(28)14(26)10(7-22)33-20)15(27)11(8-23)32-19(13)31-4-6-35-5-3-12(25)30-2/h10-11,13-20,22-23,26-29H,3-8H2,1-2H3,(H,21,24)/t10-,11-,13-,14+,15-,16+,17-,18-,19-,20+/m1/s1
InChIKeyBOPULQLGJBVLHZ-DWCRUEOISA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 3-({2-[(2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate (CHEBI:53548) is a disaccharide derivative (CHEBI:63353)
methyl 3-({2-[(2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate (CHEBI:53548) is a glycoside (CHEBI:24400)
methyl 3-({2-[(2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate (CHEBI:53548) is a methyl ester (CHEBI:25248)
methyl 3-({2-[(2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate (CHEBI:53548) is a organic sulfide (CHEBI:16385)
IUPAC Name 
methyl 3-({2-[(2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate
Synonyms  Source
β-D-Galp-(1→)-β-D-GlcpNAc-O-CETEChEBI
β-D-Gal-(1→)-β-D-GlcNAc-O-CETEChEBI
Citations