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

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ChEBI Name methyl 3-({2-[(2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate ChEBI ID CHEBI:53548 ChEBI ASCII Name methyl 3-({2-[(2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ZINC000064633448 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H35NO13S Net Charge 0 Average Mass 529.55600 Monoisotopic Mass 529.18291 InChI InChI=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 InChIKey BOPULQLGJBVLHZ-DWCRUEOISA-N SMILES COC(=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 ChEBI Ontology Outgoing 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 Sources β-D-Gal-(1→)-β-D-GlcNAc-O-CETE ChEBI β-D-Galp-(1→)-β-D-GlcpNAc-O-CETE ChEBI Citation Type Source 1398682 PubMed citation Europe PMC Last Modified 13 April 2015