2-[1-oxo-2-cyclopenten-2-ylmethyl]-butanoic acid (CHEBI:202101)

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CHEBI:202101 - 2-[1-oxo-2-cyclopenten-2-ylmethyl]-butanoic acid

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ChEBI ID	CHEBI:202101
ChEBI Name	2-[1-oxo-2-cyclopenten-2-ylmethyl]-butanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H14O3
Net Charge	0
Average Mass	182.219
Monoisotopic Mass	182.09429
SMILES	CC[C@@H](CC1=CCCC1=O)C(=O)O
InChI	InChI=1S/C10H14O3/c1-2-7(10(12)13)6-8-4-3-5-9(8)11/h4,7H,2-3,5-6H2,1H3,(H,12,13)/t7-/m0/s1
InChIKey	AAFQBGIWLGZYHH-ZETCQYMHSA-N

Species of Metabolite	Component	Source	Comments
Pseudomonasspecies (ncbitaxon:306)	-	DOI (10.1016/0040-4039(95)00452-i)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	2-[1-oxo-2-cyclopenten-2-ylmethyl]-butanoic acid (CHEBI:202101) is a branched-chain fatty acid (CHEBI:35819)

IUPAC Name
2-[(5-oxocyclopenten-1-yl)methyl]butanoic acid

Manual Xrefs	Databases
78435435	ChemSpider