EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177901 - brassiteraene B

ChEBI IDCHEBI:177901
ChEBI Namebrassiteraene B
Stars
DefinitionA sesterterpene that is produced by the fungal chimeric terpene synthase, PTTS125.
Last Modified18 August 2021
SubmitterTereza Calounova
DownloadsMolfile
FormulaC25H40
Net Charge0
Average Mass340.595
Monoisotopic Mass340.31300
SMILES[H][C@@]12CC/C(C)=C/CC/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/h10-11,15,23-24H,1,7-9,12-14,16-18H2,2-6H3/b20-10+,21-11+,22-15+/t23-,24-,25-/m0/s1
InChIKeyOOAGNDVPNQTUHH-HIZNCHJXSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum higginsianum (ncbitaxon:80884) - 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)
brassiteraene B (CHEBI:177901) has role fungal metabolite (CHEBI:76946)
brassiteraene B (CHEBI:177901) is a carbobicyclic compound (CHEBI:36785)
brassiteraene B (CHEBI:177901) is a polycyclic olefin (CHEBI:35714)
brassiteraene B (CHEBI:177901) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(3R,3aS,6E,10E,14E,16aR)-6,10,14,16a-tetramethyl-3-(prop-1-en-2-yl)-1,2,3,3a,4,5,8,9,12,13,16,16a-dodecahydrocyclopenta[15]annulene
Citations