CHEBI:87503 - ethyl 3-methylthiopropionate

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ChEBI Name ethyl 3-methylthiopropionate
ChEBI ID CHEBI:87503
Definition A carboxylic ester obtained by the formal condensation of the carboxy group of 3-(methylthio)propionic acid with ethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H12O2S
Net Charge 0
Average Mass 148.22300
Monoisotopic Mass 148.05580
InChI InChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3
InChIKey YSNWHRKJEKWJNY-UHFFFAOYSA-N
SMILES CCOC(=O)CCSC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing ethyl 3-methylthiopropionate (CHEBI:87503) has functional parent 3-(methylthio)propionic acid (CHEBI:1438)
ethyl 3-methylthiopropionate (CHEBI:87503) has role metabolite (CHEBI:25212)
ethyl 3-methylthiopropionate (CHEBI:87503) is a carboxylic ester (CHEBI:33308)
ethyl 3-methylthiopropionate (CHEBI:87503) is a organosulfur compound (CHEBI:33261)
IUPAC Name
ethyl 3-(methylsulfanyl)propanoate
Synonyms Sources
3-(methylthio)propanoic acid ethyl ester ChEBI
Ethyl 3-(methylthio)propanoate HMDB
ethyl 3-(methylthio)propionate ChEBI
Ethyl 3-methylmercaptopropionate ChemIDplus
Ethyl methyl mercaptopropionate ChemIDplus
Manual Xref Database
HMDB0040413 HMDB
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Registry Numbers Types Sources
13327-56-5 CAS Registry Number NIST Chemistry WebBook
13327-56-5 CAS Registry Number ChemIDplus
1748688 Reaxys Registry Number Reaxys
Last Modified
01 September 2015