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CHEBI:177886 - sesterorbiculene

ChEBI IDCHEBI:177886
ChEBI Namesesterorbiculene
Stars
DefinitionA sesterterpene that is produced by several fungal chimeric terpene synthases (PTTS009, PTTS037 and PTTS054).
Last Modified18 August 2021
SubmitterTereza Calounova
DownloadsMolfile
FormulaC25H40
Net Charge0
Average Mass340.595
Monoisotopic Mass340.31300
SMILES[H][C@]12C/C=C(C)/C=C/C/C(C)=C/CC/C(C)=C/C[C@]1(C)CC[C@H]2C(C)C
InChIInChI=1S/C25H40/c1-19(2)23-16-18-25(6)17-15-22(5)12-8-10-20(3)9-7-11-21(4)13-14-24(23)25/h7,10-11,13,15,19,23-24H,8-9,12,14,16-18H2,1-6H3/b11-7+,20-10+,21-13+,22-15+/t23-,24+,25+/m0/s1
InChIKeyHNQNDSZTKGSDTD-ZCDAFREASA-N
Species of MetaboliteComponentSourceComments
Colletotrichum incanum (ncbitaxon:1573173) - PubMed (34257153)
Colletotrichum orbiculare (ncbitaxon:5465) - PubMed (34257153)
Colletotrichum gloeosporioides (ncbitaxon:474922) - PubMed (34257153)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
sesterorbiculene (CHEBI:177886) has role fungal metabolite (CHEBI:76946)
sesterorbiculene (CHEBI:177886) is a carbobicyclic compound (CHEBI:36785)
sesterorbiculene (CHEBI:177886) is a polycyclic olefin (CHEBI:35714)
sesterorbiculene (CHEBI:177886) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(1S,3aS,5E,9E,12E,14E,16aR)-3a,6,10,14-tetramethyl-1-(propan-2-yl)-1,2,3,3a,4,7,8,11,16,16a-decahydrocyclopenta[15]annulene
Synonym  Source
(−)-sesterorbiculeneChEBI
Citations