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. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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) butyl 3-(methylsulfanyl)propanoate (CHEBI:156073) has functional parent 3-(methylthio)propionic acid (CHEBI:1438) ethyl 3-(methylthio)propionate (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 View more database links 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 Type Source 100496 PubMed citation Europe PMC Last Modified 13 July 2020