Pentanedioic acid 2-(1-methylethylidene)-5-methyl ester (CHEBI:211326)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211326 - Pentanedioic acid 2-(1-methylethylidene)-5-methyl ester

Take structure to advanced search

ChEBI ID	CHEBI:211326
ChEBI Name	Pentanedioic acid 2-(1-methylethylidene)-5-methyl ester
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H14O4
Net Charge	0
Average Mass	186.207
Monoisotopic Mass	186.08921
SMILES	COC(=O)CCC(C(=O)O)=C(C)C
InChI	InChI=1S/C9H14O4/c1-6(2)7(9(11)12)4-5-8(10)13-3/h4-5H2,1-3H3,(H,11,12)
InChIKey	OHTIESUYKHMKOD-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Acremoniumspecies (ncbitaxon:2046025)	-	PubMed (12444684)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Pentanedioic acid 2-(1-methylethylidene)-5-methyl ester (CHEBI:211326) is a methyl-branched fatty acid (CHEBI:62499)

IUPAC Name
5-methoxy-5-oxo-2-propan-2-ylidenepentanoic acid

Manual Xrefs	Databases
9194757	ChemSpider