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CHEBI:87503 - ethyl 3-(methylthio)propionate

ChEBI IDCHEBI:87503
ChEBI Nameethyl 3-(methylthio)propionate
Stars
DefinitionA carboxylic ester obtained by the formal condensation of the carboxy group of 3-(methylthio)propionic acid with ethanol.
Last Modified10 August 2020
Submitternamrata
DownloadsMolfile
FormulaC6H12O2S
Net Charge0
Average Mass148.227
Monoisotopic Mass148.05580
SMILESCCOC(=O)CCSC
InChIInChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3
InChIKeyYSNWHRKJEKWJNY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ananas comosus (ncbitaxon:4615) - PubMed (22837701)
Fragaria x ananassa (ncbitaxon:3747) - PubMed (21280634)
Cucumis melo var. cantalupo (ncbitaxon:3658) - PubMed (15237961)
Roles Classification
Biological Role:
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 Relation(s)
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  Source
3-(methylthio)propanoic acid ethyl esterChEBI
Ethyl 3-(methylmercapto)propionateChemIDplus
Ethyl methyl mercaptopropionateChemIDplus
Ethyl 3-(methylthio)propanoateHMDB
ethyl 3-(methylthio)propionateChEBI
Manual XrefsDatabases
HMDB0040413HMDB
FDB020145FooDB
Registry NumbersSources
Reaxys:1748688Reaxys
CAS:13327-56-5ChemIDplus
CAS:13327-56-5NIST Chemistry WebBook
Citations