EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91315 - 2-methylbutanedioic acid

ChEBI IDCHEBI:91315
ChEBI Name2-methylbutanedioic acid
Stars
DefinitionA dicarboxylic acid that is butanedioic acid substituted at position 2 by a methyl group.
Last Modified9 May 2022
SubmitterSteve
DownloadsMolfile
FormulaC5H8O4
Net Charge0
Average Mass132.115
Monoisotopic Mass132.04226
SMILESCC(CC(=O)O)C(=O)O
InChIInChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)
InChIKeyWXUAQHNMJWJLTG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-methylbutanedioic acid (CHEBI:91315) is a dicarboxylic acid (CHEBI:35692)
2-methylbutanedioic acid (CHEBI:91315) is conjugate acid of methylsuccinate (CHEBI:132961)
Incoming Relation(s)
(R)-methylsuccinic acid (CHEBI:91317) is a 2-methylbutanedioic acid (CHEBI:91315)
(S)-methylsuccinic acid (CHEBI:91316) is a 2-methylbutanedioic acid (CHEBI:91315)
methylsuccinate (CHEBI:132961) is conjugate base of 2-methylbutanedioic acid (CHEBI:91315)
IUPAC Name 
2-methylbutanedioic acid