(Z)-2-(7-oxooctyl)-pent-2-enedioic acid (CHEBI:221432)

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CHEBI:221432 - (Z)-2-(7-oxooctyl)-pent-2-enedioic acid

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ChEBI ID	CHEBI:221432
ChEBI Name	(Z)-2-(7-oxooctyl)-pent-2-enedioic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H20O5
Net Charge	0
Average Mass	256.298
Monoisotopic Mass	256.13107
SMILES	CC(=O)CCCCCC/C(=C/CC(=O)O)C(=O)O
InChI	InChI=1S/C13H20O5/c1-10(14)6-4-2-3-5-7-11(13(17)18)8-9-12(15)16/h8H,2-7,9H2,1H3,(H,15,16)(H,17,18)/b11-8-
InChIKey	ZEHLAUQKWOGOER-FLIBITNWSA-N

Species of Metabolite	Component	Source	Comments
Gongronella butleri (ncbitaxon:101105)	-	DOI (10.1016/j.phytol.2014.09.001)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(Z)-2-(7-oxooctyl)-pent-2-enedioic acid (CHEBI:221432) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(Z)-2-(7-oxooctyl)pent-2-enedioic acid

Manual Xrefs	Databases
67890484	ChemSpider