12-oxo-dodeca-5,8,10-trienoic acid (CHEBI:193314)

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CHEBI:193314 - 12-oxo-dodeca-5,8,10-trienoic acid

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ChEBI ID	CHEBI:193314
ChEBI Name	12-oxo-dodeca-5,8,10-trienoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H16O3
Net Charge	0
Average Mass	208.257
Monoisotopic Mass	208.10994
SMILES	O=C/C=C/C=C\C/C=C\CCCC(=O)O
InChI	InChI=1S/C12H16O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h2-5,7,9,11H,1,6,8,10H2,(H,14,15)/b4-2-,5-3-,9-7+
InChIKey	ZRIOISYGDYRQIK-RHYRGYLPSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	feces (BTO:0000440)	MetaboLights (MTBLS5335)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	12-oxo-dodeca-5,8,10-trienoic acid (CHEBI:193314) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(5Z,8Z,10E)-12-oxododeca-5,8,10-trienoic acid

Manual Xrefs	Databases
8257321	ChemSpider
LMFA01060222	LIPID MAPS