15-Hydroperoxyeicosa-8Z,11Z,13E-trienoate (CHEBI:230001)

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CHEBI:230001 - 15-Hydroperoxyeicosa-8Z,11Z,13E-trienoate

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ChEBI ID	CHEBI:230001
ChEBI Name	15-Hydroperoxyeicosa-8Z,11Z,13E-trienoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H34O4
Net Charge	0
Average Mass	338.488
Monoisotopic Mass	338.24571
SMILES	CCCCCC(/C=C/C=C\C/C=C\CCCCCCC(=O)O)OO
InChI	InChI=1S/C20H34O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,9,11,14,17,19,23H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,11-9-,17-14+
InChIKey	IUXBNSNRPLXHER-RHDCIPCHSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	feces (BTO:0000440)	MetaboLights (MTBLS9087)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	15-Hydroperoxyeicosa-8Z,11Z,13E-trienoate (CHEBI:230001) is a hydroperoxy fatty acid (CHEBI:64009)

IUPAC Name
(8Z,11Z,13E)-15-hydroperoxyicosa-8,11,13-trienoic acid

Manual Xrefs	Databases
HMDB0060106	HMDB
35031693	ChemSpider