CHEBI:1438 - 3-(methylthio)propionic acid

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ChEBI Name 3-(methylthio)propionic acid
ChEBI ID CHEBI:1438
Definition A thia fatty acid acid consisting of propionic acid with a methylthio substituent at the 3-position; an intermediate in mammalian methionine metabolism in vitro. The simplest known phytotoxin, it is a blight-inducing toxin produced by the cassava pathogen Xanthomonas campestris manihotis.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C4H8O2S
Net Charge 0
Average Mass 120.17112
Monoisotopic Mass 120.02450
InChI InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey CAOMCZAIALVUPA-UHFFFAOYSA-N
SMILES CSCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): phytotoxin
Any toxin produced by a plant.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-(methylthio)propionic acid (CHEBI:1438) has functional parent propionic acid (CHEBI:30768)
3-(methylthio)propionic acid (CHEBI:1438) has role phytotoxin (CHEBI:38231)
3-(methylthio)propionic acid (CHEBI:1438) is a thia fatty acid (CHEBI:59643)
3-(methylthio)propionic acid (CHEBI:1438) is conjugate acid of 3-(methylthio)propionate (CHEBI:49016)
Incoming 3-(methylthio)propanoyl-CoA (CHEBI:83579) has functional parent 3-(methylthio)propionic acid (CHEBI:1438)
ethyl 3-methylthiopropionate (CHEBI:87503) has functional parent 3-(methylthio)propionic acid (CHEBI:1438)
3-(methylthio)propionate (CHEBI:49016) is conjugate base of 3-(methylthio)propionic acid (CHEBI:1438)
IUPAC Name
3-(methylsulfanyl)propanoic acid
Synonyms Sources
3-(Methylthio)propionic acid KEGG COMPOUND
3-methylthiopropanoic acid ChEBI
Manual Xrefs Databases
C00001194 KNApSAcK
C08276 KEGG COMPOUND
HMDB0001527 HMDB
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Registry Numbers Types Sources
1743054 Beilstein Registry Number Beilstein
1743054 Reaxys Registry Number Reaxys
646-01-5 CAS Registry Number KEGG COMPOUND
646-01-5 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
100496 PubMed citation Europe PMC
Last Modified
23 October 2015