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CHEBI:82672 - pomecin A

ChEBI IDCHEBI:82672
ChEBI Namepomecin A
Stars
DefinitionA polyunsaturated fatty acid that is tetradec-9-ene-11,13-diynoic acid in which the terminal acetylenic hydrogen is replaced by a 2-furyl group. Shows potent and broad-spectrum activity in vitro against Candida, Aspergillus, and Trichophyton spp.,
Last Modified8 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H20O3
Net Charge0
Average Mass284.355
Monoisotopic Mass284.14124
SMILESO=C(O)CCCCCCC/C=C\C#CC#Cc1ccco1
InChIInChI=1S/C18H20O3/c19-18(20)15-11-9-7-5-3-1-2-4-6-8-10-13-17-14-12-16-21-17/h2,4,12,14,16H,1,3,5,7,9,11,15H2,(H,19,20)/b4-2-
InChIKeyAKBAHATYKFKXLG-RQOWECAXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
pomecin A (CHEBI:82672) has role antifungal agent (CHEBI:35718)
pomecin A (CHEBI:82672) has role plant metabolite (CHEBI:76924)
pomecin A (CHEBI:82672) is a acetylenic fatty acid (CHEBI:25380)
pomecin A (CHEBI:82672) is a furans (CHEBI:24129)
pomecin A (CHEBI:82672) is a olefinic fatty acid (CHEBI:53339)
pomecin A (CHEBI:82672) is a polyunsaturated fatty acid (CHEBI:26208)
IUPAC Name 
(9Z)-14-(2-furyl)tetradec-9-ene-11,13-diynoic acid
Synonyms  Source
EV-086ChEBI
(Z)-14-(furan-2-yl)tetradeca-9-en-11,13-diynoic acidChEBI
Registry NumbersSources
Reaxys:21180385Reaxys
Citations