vernolic acid (CHEBI:38299)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	vernolic acid

ChEBI ID	CHEBI:38299

Definition	A monounsaturated epoxy fatty acid composed of cis-9-octadecenoic acid having a 12,13-epoxy group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	eMolecules:1934557

Download	Molfile XML SDF

Formula

C18H32O3

Net Charge

Average Mass

296.44488

Monoisotopic Mass

296.23514

InChI

InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-

InChIKey

CCPPLLJZDQAOHD-FLIBITNWSA-N

SMILES

CCCCCC1OC1C\C=C/CCCCCCCC(O)=O

Metabolite of Species	Details
Vernonia galamensis (NCBI:txid83960)	Found in seed (BTO:0001226). See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via epoxyoctadecenoic acid )

ChEBI Ontology
Outgoing	vernolic acid (CHEBI:38299) has functional parent octadec-9-enoic acid (CHEBI:36021) vernolic acid (CHEBI:38299) has role plant metabolite (CHEBI:76924) vernolic acid (CHEBI:38299) is a epoxy fatty acid (CHEBI:61498) vernolic acid (CHEBI:38299) is a epoxyoctadecenoic acid (CHEBI:72659) vernolic acid (CHEBI:38299) is a long-chain fatty acid (CHEBI:15904) vernolic acid (CHEBI:38299) is a monounsaturated fatty acid (CHEBI:25413) vernolic acid (CHEBI:38299) is conjugate acid of vernolate (CHEBI:84026)

Incoming	(−)-vernolic acid (CHEBI:38300) is a vernolic acid (CHEBI:38299) (+)-vernolic acid (CHEBI:27706) is a vernolic acid (CHEBI:38299) vernolate (CHEBI:84026) is conjugate base of vernolic acid (CHEBI:38299)

IUPAC Name

(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid

Synonyms	Sources
(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acids	ChEBI
(9Z)-12,13-epoxyoctadecenoic acid	ChEBI
12(13)-EpOME	LIPID MAPS
12,13-cis-epoxyoctadecenoic acid	ChEBI
12,13-epoxy-9(Z)-octadecenoic acid	ChEBI
12,13-epoxy-cis-9-octadecenoic acid	ChEBI
12,13-monoepoxy-cis-9-octadecenoic acid	ChEBI
acide vernolique	ChEBI
cis-12,13-ep, 9c-18:1	ChEBI
cis-12,13-epoxy-9-octadecenoic acid	ChEBI
vernolic acids	ChEBI
Vernolsäure	ChEBI
Vernolsäuren	ChEBI

Registry Number	Type	Source
1430549	Reaxys Registry Number	Reaxys

Citations

Last Modified

23 October 2015