12(r)-Hydroxyeicosatrienoic acid (CHEBI:231172)

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CHEBI:231172 - 12(r)-Hydroxyeicosatrienoic acid

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ChEBI ID	CHEBI:231172
ChEBI Name	12(r)-Hydroxyeicosatrienoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H34O3
Net Charge	0
Average Mass	322.489
Monoisotopic Mass	322.25079
SMILES	CCCCCCCCC(O)CCCC/C=C/C=C/C=C/C(=O)O
InChI	InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h6-7,9,12,15,18-19,21H,2-5,8,10-11,13-14,16-17H2,1H3,(H,22,23)/b7-6+,12-9+,18-15+
InChIKey	QMXKMPPGXZEKTP-GZJUTCQJSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	12(r)-Hydroxyeicosatrienoic acid (CHEBI:231172) is a hydroxy fatty acid (CHEBI:24654)
	12(r)-Hydroxyeicosatrienoic acid (CHEBI:231172) is a polyunsaturated fatty acid (CHEBI:26208)

IUPAC Name
(2E,4E,6E)-12-hydroxyicosa-2,4,6-trienoic acid

Manual Xrefs	Databases
11415439	ChemSpider