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CHEBI:67754 - (−)-duryne

ChEBI IDCHEBI:67754
ChEBI Name(−)-duryne
Stars
ASCII Name(-)-duryne
DefinitionAn enyne that is (4E,15Z,26E)-triaconta-4,15,26-triene-1,29-diyne substituted by hydroxy groups at positions 3 and 28 (the 3R,28R-stereoisomer). It has been isolated from the marine sponge Petrosia.
Last Modified13 April 2015
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILESC#C[C@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C
InChIInChI=1S/C30H48O2/c1-3-29(31)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)4-2/h1-2,5-6,25-32H,7-24H2/b6-5-,27-25+,28-26+/t29-,30-/m0/s1
InChIKeyXFALGIQXDHGEPT-OLJSRXJXSA-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 (CHEBI:67754) has role animal metabolite (CHEBI:75767)
(−)-duryne (CHEBI:67754) has role antineoplastic agent (CHEBI:35610)
(−)-duryne (CHEBI:67754) has role marine metabolite (CHEBI:76507)
(−)-duryne (CHEBI:67754) is a diol (CHEBI:23824)
(−)-duryne (CHEBI:67754) is a enyne (CHEBI:59831)
(−)-duryne (CHEBI:67754) is a secondary alcohol (CHEBI:35681)
(−)-duryne (CHEBI:67754) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
(3R,4E,15Z,26E,28R)-triaconta-4,15,26-triene-1,29-diyne-3,28-diol
Registry NumbersSources
Reaxys:8074208Reaxys
Citations