CHEBI:165425 - 2-Methylglutaconic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-Methylglutaconic acid
ChEBI ID CHEBI:165425
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H8O4
Net Charge 0
Average Mass 144.126
Monoisotopic Mass 144.04226
InChI InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
InChIKey JKGHDBJDBRBRNA-DUXPYHPUSA-N
SMILES OC(=O)C/C=C(\C)/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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-Methylglutaconic acid (CHEBI:165425) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name
(E)-2-methylpent-2-enedioic acid
Manual Xrefs Databases
4897953 ChemSpider
HMDB0002266 HMDB
LMFA01170079 LIPID MAPS
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Registry Number Type Source
53358-21-7 CAS Registry Number ChemIDplus