10,11-epoxy-3,7,11-trimethyl-2E,6E-tridecadienoic acid (CHEBI:188206)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	10,11-epoxy-3,7,11-trimethyl-2E,6E-tridecadienoic acid

ChEBI ID	CHEBI:188206

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H26O3

Net Charge

Average Mass

266.381

Monoisotopic Mass

266.18819

InChI

InChI=1S/C16H26O3/c1-5-16(4)14(19-16)10-9-12(2)7-6-8-13(3)11-15(17)18/h7,11,14H,5-6,8-10H2,1-4H3,(H,17,18)/b12-7+,13-11+/t14-,16-/m1/s1

InChIKey

CZRJNVJQSPMQTQ-DABJYTMYSA-N

SMILES

O1[C@@]([C@H]1CC/C(=C/CC/C(/C)=C/C(O)=O)/C)(CC)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

ChEBI Ontology
Outgoing	10,11-epoxy-3,7,11-trimethyl-2E,6E-tridecadienoic acid (CHEBI:188206) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(2E,6E)-9-[(2R,3R)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoic acid