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CHEBI:82798 - cembrene C

ChEBI IDCHEBI:82798
ChEBI Namecembrene C
Stars
DefinitionA fourteen-membered macrocyclic diterpene consisting of 12-isopropylidene-1,5,9-trimethylcyclotetradecane having three endocyclic double bonds located at positions 1, 5 and 9.
Last Modified20 July 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILESCC(C)=C1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC1
InChIInChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12+,19-11+
InChIKeySHVZFTWRFOQOFU-GDVLXBNMSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
cembrene C (CHEBI:82798) has parent hydride cembrane (CHEBI:60689)
cembrene C (CHEBI:82798) has role bacterial metabolite (CHEBI:76969)
cembrene C (CHEBI:82798) is a cycloalkatriene (CHEBI:36402)
cembrene C (CHEBI:82798) is a diterpene (CHEBI:35190)
cembrene C (CHEBI:82798) is a macrocycle (CHEBI:51026)
Incoming Relation(s)
(R)-nephthenol (CHEBI:82799) has functional parent cembrene C (CHEBI:82798)
serratol (CHEBI:156193) has functional parent cembrene C (CHEBI:82798)
IUPAC Name 
(1E,5E,9E)-12-isopropylidene-1,5,9-trimethylcyclotetradeca-1,5,9-triene
Synonym  Source
(1E,5E,9E)-1,5,9-trimethyl-12-(propan-2-ylidene)cyclotetradeca-1,5,9-trieneSUBMITTER
UniProt Name  Source
cembrene CUniProt
Manual XrefsDatabases
CPD-16928MetaCyc
Registry NumbersSources
Reaxys:2107415Reaxys
Citations