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CHEBI:165425 - 2-Methylglutaconic acid

ChEBI IDCHEBI:165425
ChEBI Name2-Methylglutaconic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H8O4
Net Charge0
Average Mass144.126
Monoisotopic Mass144.04226
SMILESC/C(=C\CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
InChIKeyJKGHDBJDBRBRNA-DUXPYHPUSA-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-Methylglutaconic acid (CHEBI:165425) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name 
(E)-2-methylpent-2-enedioic acid
Manual XrefsDatabases
4897953ChemSpider
HMDB0002266HMDB
LMFA01170079LIPID MAPS
Registry NumbersSources
CAS:53358-21-7ChemIDplus