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 ChemicalBook:CB8204901, eMolecules:2725695, ZINC000001529204 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 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