2-(1-Methylethylidene)pentanedioic acid (CHEBI:209104)

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CHEBI:209104 - 2-(1-Methylethylidene)pentanedioic acid

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ChEBI ID	CHEBI:209104
ChEBI Name	2-(1-Methylethylidene)pentanedioic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H12O4
Net Charge	0
Average Mass	172.180
Monoisotopic Mass	172.07356
SMILES	CC(C)=C(CCC(=O)O)C(=O)O
InChI	InChI=1S/C8H12O4/c1-5(2)6(8(11)12)3-4-7(9)10/h3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey	FMLQKYAZHSLEKX-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)
	2-(1-Methylethylidene)pentanedioic acid (CHEBI:209104) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
2-propan-2-ylidenepentanedioic acid

Manual Xrefs	Databases
10004558	ChemSpider