CHEBI:111517 - dimethylmalonic acid

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ChEBI Name dimethylmalonic acid ChEBI ID CHEBI:111517 Definition A dicarboxylic acid that is malonic acid in which both methylene hydrogens have been replaced by methyl groups. 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 C5H8O4 Net Charge 0 Average Mass 132.115 Monoisotopic Mass 132.04226 InChI InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9) InChIKey OREAFAJWWJHCOT-UHFFFAOYSA-N SMILES O=C(O)C(C(O)=O)(C)C Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: MetaboLights Study Homo sapiens (NCBI:txid9606) See: PubMed 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): fatty acid synthesis inhibitor Any pathway inhibitor that inhibits the synthesis of fatty acids. View more via ChEBI Ontology ChEBI Ontology Outgoing dimethylmalonic acid (CHEBI:111517) has role fatty acid synthesis inhibitor (CHEBI:50185) dimethylmalonic acid (CHEBI:111517) is a dicarboxylic acid (CHEBI:35692) IUPAC Name dimethylpropanedioic acid Synonym Source 2,2-Dimethylmalonic acid HMDB Manual Xref Database HMDB0002001 HMDB View more database links Registry Numbers Types Sources 595-46-0 CAS Registry Number NIST Chemistry WebBook 595-46-0 CAS Registry Number ChemIDplus 774375 Reaxys Registry Number Reaxys Citations Types Sources 10427013 PubMed citation Europe PMC 1793508 PubMed citation Europe PMC 23957650 PubMed citation Europe PMC Last Modified 27 July 2016