octadec-17-ynoic acid (CHEBI:142447)

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ChEBI Name	octadec-17-ynoic acid

ChEBI ID	CHEBI:142447

Definition	An acetylenic fatty acid that is octadecanoi acid (stearic acid) which has been doubly dehydrogenated at positions 17 and 18 to give the corresponding alkynoic acid.

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

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

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Formula

C18H32O2

Net Charge

Average Mass

280.446

Monoisotopic Mass

280.24023

InChI

InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3-17H2,(H,19,20)

InChIKey

DZIILFGADWDKMF-UHFFFAOYSA-N

SMILES

C(CCCC(O)=O)CCCCCCCCCCCC#C

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):	P450 inhibitor An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances. EC 1.14.14.94 (leukotriene-B4 20-monooxygenase) inhibitor Any EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor that interferes with the action of leukotriene-B4 20-monooxygenase (EC 1.14.14.94). EC 1.14.15.3 (alkane 1-monooxygenase) inhibitor Any EC 1.14.15.* (oxidoreductase acting on paired donors, with reduced Fe-S protein as one donor, incorporating 1 O atom) inhibitor that interferes with the action of alkane 1-monooxygenase (EC 1.14.15.3).

ChEBI Ontology
Outgoing	octadec-17-ynoic acid (CHEBI:142447) has role EC 1.14.14.94 (leukotriene-B₄ 20-monooxygenase) inhibitor (CHEBI:142480) octadec-17-ynoic acid (CHEBI:142447) has role EC 1.14.15.3 (alkane 1-monooxygenase) inhibitor (CHEBI:142481) octadec-17-ynoic acid (CHEBI:142447) has role P450 inhibitor (CHEBI:50183) octadec-17-ynoic acid (CHEBI:142447) is a acetylenic fatty acid (CHEBI:25380) octadec-17-ynoic acid (CHEBI:142447) is a long-chain fatty acid (CHEBI:15904) octadec-17-ynoic acid (CHEBI:142447) is a monounsaturated fatty acid (CHEBI:25413) octadec-17-ynoic acid (CHEBI:142447) is a terminal acetylenic compound (CHEBI:73477)

IUPAC Name

octadec-17-ynoic acid

Last Modified

30 October 2018