(Z)-2-(5-oxohexyl)pent-2-enedioic acid (CHEBI:202176)

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CHEBI:202176 - (Z)-2-(5-oxohexyl)pent-2-enedioic acid

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ChEBI ID	CHEBI:202176
ChEBI Name	(Z)-2-(5-oxohexyl)pent-2-enedioic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H16O5
Net Charge	0
Average Mass	228.244
Monoisotopic Mass	228.09977
SMILES	CC(=O)CCCC/C(=C/CC(=O)O)C(=O)O
InChI	InChI=1S/C11H16O5/c1-8(12)4-2-3-5-9(11(15)16)6-7-10(13)14/h6H,2-5,7H2,1H3,(H,13,14)(H,15,16)/b9-6-
InChIKey	ZVMSPBRNCJKZRT-TWGQIWQCSA-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-(5-oxohexyl)pent-2-enedioic acid (CHEBI:202176) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(Z)-2-(5-oxohexyl)pent-2-enedioic acid

Manual Xrefs	Databases
78435842	ChemSpider