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CHEBI:68011 - lehualide K

ChEBI IDCHEBI:68011
ChEBI Namelehualide K
Stars
DefinitionAn organic disulfide that is didecyl disulfide in which the hydrogens of the terminal methyl groups are replaced by 3,4-dimethoxy-5-methyl-2H-pyran-2-ones groups respectively. It has been isolated from the marine sponge of the genus Plakortis.
Last Modified17 March 2014
DownloadsMolfile
FormulaC36H58O8S2
Net Charge0
Average Mass682.986
Monoisotopic Mass682.35731
SMILESCOc1c(C)c(CCCCCCCCCCSSCCCCCCCCCCc2oc(=O)c(OC)c(OC)c2C)oc(=O)c1OC
InChIInChI=1S/C36H58O8S2/c1-27-29(43-35(37)33(41-5)31(27)39-3)23-19-15-11-7-9-13-17-21-25-45-46-26-22-18-14-10-8-12-16-20-24-30-28(2)32(40-4)34(42-6)36(38)44-30/h7-26H2,1-6H3
InChIKeyURLHPPRLAKCXAF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Plakortis (ncbitaxon:86044) - PubMed (21351759) Methanolic extract of frozen sample
Roles Classification
Biological Role:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
lehualide K (CHEBI:68011) has role animal metabolite (CHEBI:75767)
lehualide K (CHEBI:68011) is a 2-pyranones (CHEBI:75885)
lehualide K (CHEBI:68011) is a ether (CHEBI:25698)
lehualide K (CHEBI:68011) is a organic disulfide (CHEBI:35489)
lehualide K (CHEBI:68011) is a polyketide (CHEBI:26188)
IUPAC Name 
6,6'-(disulfanediyldidecane-10,1-diyl)bis(3,4-dimethoxy-5-methyl-2H-pyran-2-one)
Registry NumbersSources
Reaxys:21452358Reaxys
Citations