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CHEBI:209271 - somaliensene A

ChEBI IDCHEBI:209271
ChEBI Namesomaliensene A
Stars
DefinitionA sesterterpene that is 2,6-dimethylbicyclo[3.1.1]hept-2-ene substituted by a (6E,10E)-2,6,10-trimethyltrideca-2,6,10-trien-13-yl at position 6 (the 1S,5S,6R-stereoisomer).
Last Modified30 November 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40
Net Charge0
Average Mass340.595
Monoisotopic Mass340.31300
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)[C@H]2CC=C(C)[C@@H]1C2
InChIInChI=1S/C25H40/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-17-25(6)23-16-15-22(5)24(25)18-23/h10,12,14-15,23-24H,7-9,11,13,16-18H2,1-6H3/b20-12+,21-14+/t23-,24-,25+/m0/s1
InChIKeyVJINTGNFGLYKKX-LMVZUQRVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces somaliensis (ncbitaxon:78355) - PubMed (29553734) Gene expressed in an engineered Escherichia coli strain.
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
somaliensene A (CHEBI:209271) has role bacterial metabolite (CHEBI:76969)
somaliensene A (CHEBI:209271) is a bridged compound (CHEBI:35990)
somaliensene A (CHEBI:209271) is a carbobicyclic compound (CHEBI:36785)
somaliensene A (CHEBI:209271) is a polycyclic olefin (CHEBI:35714)
somaliensene A (CHEBI:209271) is a polyene (CHEBI:48121)
somaliensene A (CHEBI:209271) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(1S,5S,6R)-2,6-dimethyl-6-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]bicyclo[3.1.1]hept-2-ene
UniProt Name  Source
somaliensene AUniProt
Manual XrefsDatabases
78439054ChemSpider
LMPR0105020006LIPID MAPS
CPD-26715MetaCyc
Citations