CHEBI:82798 - cembrene C

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ChEBI Name cembrene C
ChEBI ID CHEBI:82798
Definition A fourteen-membered macrocyclic diterpene consisting of 12-isopropylidene-1,5,9-trimethylcyclotetradecane having three endocyclic double bonds located at positions 1, 5 and 9.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
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Formula C20H32
Net Charge 0
Average Mass 272.46810
Monoisotopic Mass 272.25040
InChI InChI=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+
InChIKey SHVZFTWRFOQOFU-GDVLXBNMSA-N
SMILES CC(C)=C1CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C1
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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ChEBI Ontology
Outgoing 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 (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
Synonyms Sources
(1E,5E,9E)-1,5,9-trimethyl-12-(propan-2-ylidene)cyclotetradeca-1,5,9-triene SUBMITTER
cembrene C UniProt
Manual Xref Database
CPD-16928 MetaCyc
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Registry Number Type Source
2107415 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23386483 PubMed citation SUBMITTER
Last Modified
20 July 2020