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CHEBI:30860 - methylmalonic acid

ChEBI IDCHEBI:30860
ChEBI Namemethylmalonic acid
Stars
DefinitionA dicarboxylic acid that is malonic acid in which one of the methylene hydrogens is substituted by a methyl group.
Secondary ChEBI IDsCHEBI:6881, CHEBI:25319, CHEBI:42270
Last Modified23 October 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H6O4
Net Charge0
Average Mass118.088
Monoisotopic Mass118.02661
SMILESCC(C(=O)O)C(=O)O
InChIInChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
InChIKeyZIYVHBGGAOATLY-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
methylmalonic acid (CHEBI:30860) has functional parent malonic acid (CHEBI:30794)
methylmalonic acid (CHEBI:30860) has role human metabolite (CHEBI:77746)
methylmalonic acid (CHEBI:30860) is a C4-dicarboxylic acid (CHEBI:66873)
methylmalonic acid (CHEBI:30860) is conjugate acid of methylmalonate(1−) (CHEBI:30861)
Incoming Relation(s)
O-methylmalonyl-L-carnitine (CHEBI:85473) has functional parent methylmalonic acid (CHEBI:30860)
aryl(methyl)malonic acid (CHEBI:15849) has functional parent methylmalonic acid (CHEBI:30860)
methylmalonyl-CoA (CHEBI:16625) has functional parent methylmalonic acid (CHEBI:30860)
methylmalonate(1−) (CHEBI:30861) is conjugate base of methylmalonic acid (CHEBI:30860)
IUPAC Name 
methylpropanedioic acid
Synonyms  Source
Methylmalonic acidKEGG COMPOUND
METHYLMALONIC ACIDPDBeChem
2-methylmalonic acidNIST Chemistry WebBook
1,1-Ethanedicarboxylic acidHMDB
α-methylmalonic acidChEBI
Isosuccinic acidHMDB
Manual XrefsDatabases
C02170KEGG COMPOUND
DXXPDBeChem
CPD-546MetaCyc
HMDB0000202HMDB
Methylmalonic_acidWikipedia
DB04183DrugBank
LMFA01170118LIPID MAPS
Registry NumbersSources
Gmelin:50008Gmelin
Reaxys:1756084Reaxys
CAS:516-05-2KEGG COMPOUND
CAS:516-05-2ChemIDplus
CAS:516-05-2NIST Chemistry WebBook
Citations