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CHEBI:82800 - (R)-cembrene A

ChEBI IDCHEBI:82800
ChEBI Name(R)-cembrene A
Stars
ASCII Name(R)-cembrene A
DefinitionA fourteen-membered macrocyclic diterpene consisting of 1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradecane having three endocyclic double bonds located at positions 1, 5 and 9.
Secondary ChEBI IDCHEBI:7501
Last Modified28 February 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILESC=C(C)[C@H]1C/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/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m0/s1
InChIKeyVWSPQDDPRITBAM-KPGNMOGWSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Alligator sinensis (ncbitaxon:38654) - PubMed (9287418)
Cephalotaxus sinensis (ncbitaxon:89484) - PubMed (37326357)
Roles Classification
Biological Roles:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
ChEBI Ontology
Outgoing Relation(s)
(R)-cembrene A (CHEBI:82800) has parent hydride cembrane (CHEBI:60689)
(R)-cembrene A (CHEBI:82800) has role animal metabolite (CHEBI:75767)
(R)-cembrene A (CHEBI:82800) has role bacterial metabolite (CHEBI:76969)
(R)-cembrene A (CHEBI:82800) has role coral metabolite (CHEBI:76498)
(R)-cembrene A (CHEBI:82800) has role plant metabolite (CHEBI:76924)
(R)-cembrene A (CHEBI:82800) is a cycloalkatriene (CHEBI:36402)
(R)-cembrene A (CHEBI:82800) is a diterpene (CHEBI:35190)
(R)-cembrene A (CHEBI:82800) is a macrocycle (CHEBI:51026)
IUPAC Name 
(1E,5E,9E,12R)-1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene
Synonyms  Source
NeocembreneKEGG COMPOUND
Cembrene AKEGG COMPOUND
1,5,9-Trimethyl-12-(1-methylethenyl)-1,5,9-cyclotetradecatrieneChemIDplus
(-)-Cembrene AChemIDplus
(R)-(-)-Cembrene AChemIDplus
(−)-R-cembrene AChEBI
UniProt Name  Source
(R)-cembrene AUniProt
Manual XrefsDatabases
CPD-16930MetaCyc
C09140KEGG COMPOUND
LMPR0104190001LIPID MAPS
C00003458KNApSAcK
Cembrene_AWikipedia
Registry NumbersSources
Reaxys:2215256Reaxys
CAS:31570-39-5ChemIDplus
CAS:31570-39-5NIST Chemistry WebBook
Citations