EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67759 - (−)-duryne F

ChEBI IDCHEBI:67759
ChEBI Name(−)-duryne F
Stars
ASCII Name(-)-duryne F
DefinitionAn enyne that is (4E,15Z,29Z)-dotriaconta-4,15,29-triene-1,31-diyne substituted by hydroxy groups at positions 3 and 28 (the 3R,28S-stereoisomer). It has been isolated from the marine sponge Petrosia.
Last Modified13 April 2015
DownloadsMolfile
FormulaC32H52O2
Net Charge0
Average Mass468.766
Monoisotopic Mass468.39673
SMILESC#C/C=C\[C@@H](O)CCCCCCCCCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C
InChIInChI=1S/C32H52O2/c1-3-5-28-32(34)30-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-29-31(33)4-2/h1-2,5-7,26,28-29,31-34H,8-25,27,30H2/b7-6-,28-5-,29-26+/t31-,32+/m0/s1
InChIKeyVIAGOLXCGUWNRZ-INHMWYDMSA-N
Species of MetaboliteComponentSourceComments
Petrosia (ncbitaxon:68563) - PubMed (21534590) Frozen sponge was homogenized and extracted with EtOH and MeOH/CHCl3 (1:1)
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
(−)-duryne F (CHEBI:67759) has role animal metabolite (CHEBI:75767)
(−)-duryne F (CHEBI:67759) has role antineoplastic agent (CHEBI:35610)
(−)-duryne F (CHEBI:67759) has role marine metabolite (CHEBI:76507)
(−)-duryne F (CHEBI:67759) is a diol (CHEBI:23824)
(−)-duryne F (CHEBI:67759) is a enyne (CHEBI:59831)
(−)-duryne F (CHEBI:67759) is a secondary alcohol (CHEBI:35681)
(−)-duryne F (CHEBI:67759) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
(3R,4E,15Z,28S,29Z)-dotriaconta-4,15,29-triene-1,31-diyne-3,28-diol
Registry NumbersSources
Reaxys:21556539Reaxys
Citations