CHEBI:741548 - ethylmalonic acid

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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
Download Molfile XML SDF
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 Waiting for Citations Types Sources
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Last Modified
24 February 2022