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CHEBI:63445 - 5-epi-α-selinene

Default Structure
ChEBI IDCHEBI:63445
ChEBI Name5-epi-α-selinene
Stars
ASCII Name5-epi-alpha-selinene
DefinitionAn isomer of selinene where the double bond in the octahydronaphthalene ring system is endocyclic with (2R,4aR,8aS)-configuration. It has been isolated from termites.
Last Modified7 September 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]1(C(=C)C)CC[C@@]2(C)CCC=C(C)[C@@]2([H])C1
InChIInChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1
InChIKeyOZQAPQSEYFAMCY-RBSFLKMASA-N
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.
ChEBI Ontology
Outgoing Relation(s)
5-epi-α-selinene (CHEBI:63445) has role animal metabolite (CHEBI:75767)
5-epi-α-selinene (CHEBI:63445) is a octahydronaphthalenes (CHEBI:138397)
5-epi-α-selinene (CHEBI:63445) is a selinene (CHEBI:49272)
IUPAC Name 
(2R,4aR,8aS)-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Synonym  Source
5β,7β,10β-eudesma-3,11-dieneChEBI
UniProt Name  Source
5-epi-α-selineneUniProt
Registry NumbersSources
Reaxys:4664137Reaxys
Citations