12,15-Epoxy-13,14-dimethyleicosa-10,12,14-trienoic acid (CHEBI:184131)

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CHEBI:184131 - 12,15-Epoxy-13,14-dimethyleicosa-10,12,14-trienoic acid

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ChEBI ID	CHEBI:184131
ChEBI Name	12,15-Epoxy-13,14-dimethyleicosa-10,12,14-trienoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H36O3
Net Charge	0
Average Mass	348.527
Monoisotopic Mass	348.26645
SMILES	CCCCCc1oc(/C=C/CCCCCCCCC(=O)O)c(C)c1C
InChI	InChI=1S/C22H36O3/c1-4-5-12-15-20-18(2)19(3)21(25-20)16-13-10-8-6-7-9-11-14-17-22(23)24/h13,16H,4-12,14-15,17H2,1-3H3,(H,23,24)/b16-13+
InChIKey	XCBKJOCQMTZFQG-DTQAZKPQSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	serum (BTO:0001239)	MetaboLights (MTBLS3725)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	12,15-Epoxy-13,14-dimethyleicosa-10,12,14-trienoic acid (CHEBI:184131) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(E)-11-(3,4-dimethyl-5-pentyluran-2-yl)undec-10-enoic acid

Manual Xrefs	Databases
74849729	ChemSpider
HMDB0112069	HMDB