ethyl 3-(methylthio)propionate (CHEBI:87503)

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ChEBI Name	ethyl 3-(methylthio)propionate

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

Download	Molfile XML SDF

Formula

C6H12O2S

Net Charge

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

Metabolite of Species	Details
Cucumis melo var. cantalupo (NCBI:txid3658)	See: PubMed
Fragaria x ananassa (NCBI:txid3747)	See: PubMed
Ananas comosus (NCBI:txid4615)	See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	ethyl 3-(methylthio)propionate (CHEBI:87503) has functional parent 3-(methylthio)propionic acid (CHEBI:1438) ethyl 3-(methylthio)propionate (CHEBI:87503) has role plant metabolite (CHEBI:76924) ethyl 3-(methylthio)propionate (CHEBI:87503) is a carboxylic ester (CHEBI:33308) ethyl 3-(methylthio)propionate (CHEBI:87503) is a methyl sulfide (CHEBI:86315)

IUPAC Name

ethyl 3-(methylsulfanyl)propanoate

Synonyms	Sources
3-(methylthio)propanoic acid ethyl ester	ChEBI
Ethyl 3-(methylmercapto)propionate	ChemIDplus
Ethyl 3-(methylthio)propanoate	HMDB
ethyl 3-(methylthio)propionate	ChEBI
Ethyl methyl mercaptopropionate	ChemIDplus

Last Modified

10 August 2020