Pentanedioic acid 2-(1-methylethenyl)-5-methyl ester (CHEBI:215248)

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CHEBI:215248 - Pentanedioic acid 2-(1-methylethenyl)-5-methyl ester

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ChEBI ID	CHEBI:215248
ChEBI Name	Pentanedioic acid 2-(1-methylethenyl)-5-methyl ester
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H14O4
Net Charge	0
Average Mass	186.207
Monoisotopic Mass	186.08921
SMILES	C=C(C)[C@H](CCC(=O)OC)C(=O)O
InChI	InChI=1S/C9H14O4/c1-6(2)7(9(11)12)4-5-8(10)13-3/h7H,1,4-5H2,2-3H3,(H,11,12)/t7-/m0/s1
InChIKey	KIINVCJXLPORTK-ZETCQYMHSA-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-methylethenyl)-5-methyl ester (CHEBI:215248) is a methyl-branched fatty acid (CHEBI:62499)

IUPAC Name
5-methoxy-5-oxo-2-prop-1-en-2-ylpentanoic acid

Manual Xrefs	Databases
9107385	ChemSpider