CHEBI:741548 - ethylmalonic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name ethylmalonic acid ChEBI ID CHEBI:741548 Definition A dicarboxylic acid obtained by substitution of one of the methylene hydrogens of malonic acid by an ethyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB1782664, eMolecules:475881, ZINC000000388046 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 132.11460 Monoisotopic Mass 132.04226 InChI InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9) InChIKey UKFXDFUAPNAMPJ-UHFFFAOYSA-N SMILES CCC(C(O)=O)C(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): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing ethylmalonic acid (CHEBI:741548) has functional parent malonic acid (CHEBI:30794) ethylmalonic acid (CHEBI:741548) has role human metabolite (CHEBI:77746) ethylmalonic acid (CHEBI:741548) is a dicarboxylic acid (CHEBI:35692) ethylmalonic acid (CHEBI:741548) is a dicarboxylic fatty acid (CHEBI:189840) ethylmalonic acid (CHEBI:741548) is conjugate acid of ethylmalonate (CHEBI:132938) ethylmalonic acid (CHEBI:741548) is conjugate acid of ethylmalonate(2−) (CHEBI:132939) Incoming (R)-ethylmalonyl-CoA (CHEBI:85803) has functional parent ethylmalonic acid (CHEBI:741548) (S)-ethylmalonyl-CoA (CHEBI:60907) has functional parent ethylmalonic acid (CHEBI:741548) ethylmalonate (CHEBI:132938) is conjugate base of ethylmalonic acid (CHEBI:741548) ethylmalonate(2−) (CHEBI:132939) is conjugate base of ethylmalonic acid (CHEBI:741548) IUPAC Name ethylpropanedioic acid Synonyms Sources 1,1-propanedicarboxylic acid ChemIDplus 2-ethylmalonic acid NIST Chemistry WebBook α-carboxybutyric acid ChemIDplus Manual Xref Database HMDB0000622 HMDB View more database links Registry Numbers Types Sources 516-05-2 CAS Registry Number ChemIDplus 601-75-2 CAS Registry Number ChemIDplus 601-75-2 CAS Registry Number NIST Chemistry WebBook 774334 Reaxys Registry Number Reaxys Citations Last Modified 24 February 2022