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CHEBI:142447 - octadec-17-ynoic acid

ChEBI IDCHEBI:142447
ChEBI Nameoctadec-17-ynoic acid
Stars
DefinitionAn 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.
Last Modified30 October 2018
Submittermwilliams
DownloadsMolfile
FormulaC18H32O2
Net Charge0
Average Mass280.452
Monoisotopic Mass280.24023
SMILESC#CCCCCCCCCCCCCCCCC(=O)O
InChIInChI=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)
InChIKeyDZIILFGADWDKMF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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 Relation(s)
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
Synonyms  Source
17-octadecynoic acidChEBI
17-ODYAChemIDplus
17-octadecyn-1-oic acidChEBI
Manual XrefsDatabases
LMFA01030575LIPID MAPS
Registry NumbersSources
Reaxys:2048022Reaxys
CAS:34450-18-5ChemIDplus
CAS:34450-18-5NIST Chemistry WebBook
Citations