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CHEBI:111517 - dimethylmalonic acid

Default Structure
ChEBI IDCHEBI:111517
ChEBI Namedimethylmalonic acid
Stars
DefinitionA dicarboxylic acid that is malonic acid in which both methylene hydrogens have been replaced by methyl groups.
Last Modified27 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC5H8O4
Net Charge0
Average Mass132.115
Monoisotopic Mass132.04226
SMILESCC(C)(C(=O)O)C(=O)O
InChIInChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
InChIKeyOREAFAJWWJHCOT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS298)
- PubMed (26839171)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
fatty acid synthesis inhibitor  Any pathway inhibitor that inhibits the synthesis of fatty acids.
ChEBI Ontology
Outgoing Relation(s)
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 acidHMDB
Manual XrefsDatabases
HMDB0002001HMDB
Registry NumbersSources
Reaxys:774375Reaxys
CAS:595-46-0ChemIDplus
CAS:595-46-0NIST Chemistry WebBook
Citations