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CHEBI:82672 - pomecin A

Default Structure
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:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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