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CHEBI:78769 - plakortide F free acid

ChEBI IDCHEBI:78769
ChEBI Nameplakortide F free acid
Stars
DefinitionA marine-derived polyketide endoperoxide that exhibits strong inhibitory activity against the opportunistic fungal pathogens Candida albicans, Cryptococcus neoformans and Aspergillus fumigatus.
Last Modified10 June 2014
SubmitterSteve
DownloadsMolfile
FormulaC20H36O4
Net Charge0
Average Mass340.504
Monoisotopic Mass340.26136
SMILESCC/C=C/C(CC)CCC[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1
InChIInChI=1S/C20H36O4/c1-5-9-11-16(6-2)12-10-13-20(8-4)15-17(7-3)18(23-24-20)14-19(21)22/h9,11,16-18H,5-8,10,12-15H2,1-4H3,(H,21,22)/b11-9+/t16?,17-,18-,20-/m0/s1
InChIKeyKCBAKIPOBYUWOG-QIKPMYDRSA-N
Roles Classification
Chemical Roles:
oxidising agent  A substance that removes electrons from another reactant in a redox reaction.
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.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
plakortide F free acid (CHEBI:78769) has role antifungal agent (CHEBI:35718)
plakortide F free acid (CHEBI:78769) has role marine metabolite (CHEBI:76507)
plakortide F free acid (CHEBI:78769) is a dioxanes (CHEBI:46926)
plakortide F free acid (CHEBI:78769) is a monocarboxylic acid (CHEBI:25384)
plakortide F free acid (CHEBI:78769) is a organic peroxide (CHEBI:25702)
plakortide F free acid (CHEBI:78769) is a polyketide (CHEBI:26188)
IUPAC Name 
{(3S,4S,6S)-4,6-diethyl-6-[(5E)-4-ethyloct-5-en-1-yl]-1,2-dioxan-3-yl}acetic acid
Registry NumbersSources
Reaxys:26001135Reaxys
Citations