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CHEBI:67755 - (−)-duryne B

ChEBI IDCHEBI:67755
ChEBI Name(−)-duryne B
Stars
ASCII Name(-)-duryne B
DefinitionAn enyne that is (4E,15Z,28E)-dotriaconta-4,15,28-triene-1,31-diyne substituted by hydroxy groups at positions 3 and 30 (the 3R,30R-stereoiosmer). 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@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCCCC/C=C/[C@@H](O)C#C
InChIInChI=1S/C32H52O2/c1-3-31(33)29-27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30-32(34)4-2/h1-2,5,7,27-34H,6,8-26H2/b7-5-,29-27+,30-28+/t31-,32-/m0/s1
InChIKeyZEWIWYQCBPUQNR-JIHXWXSTSA-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 B (CHEBI:67755) has role animal metabolite (CHEBI:75767)
(−)-duryne B (CHEBI:67755) has role antineoplastic agent (CHEBI:35610)
(−)-duryne B (CHEBI:67755) has role marine metabolite (CHEBI:76507)
(−)-duryne B (CHEBI:67755) is a diol (CHEBI:23824)
(−)-duryne B (CHEBI:67755) is a enyne (CHEBI:59831)
(−)-duryne B (CHEBI:67755) is a secondary alcohol (CHEBI:35681)
(−)-duryne B (CHEBI:67755) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
(3R,4E,15Z,28E,30R)-dotriaconta-4,15,28-triene-1,31-diyne-3,30-diol
Registry NumbersSources
Reaxys:21556540Reaxys
Citations