CHEBI:49263 - (S)-β-bisabolene

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ChEBI Name (S)-β-bisabolene
ChEBI ID CHEBI:49263
ChEBI ASCII Name (S)-beta-bisabolene
Definition A β-bisabolene which has (1S)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H24
Net Charge 0
Average Mass 204.35106
Monoisotopic Mass 204.18780
InChI InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1
InChIKey XZRVRYFILCSYSP-OAHLLOKOSA-N
SMILES [H][C@@]1(CCC(C)=CC1)C(=C)CCC=C(C)C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via beta-bisabolene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-β-bisabolene (CHEBI:49263) is a β-bisabolene (CHEBI:49249)
(S)-β-bisabolene (CHEBI:49263) is enantiomer of (R)-β-bisabolene (CHEBI:49266)
Incoming (R)-β-bisabolene (CHEBI:49266) is enantiomer of (S)-β-bisabolene (CHEBI:49263)
IUPAC Names
(1S)-bisabola-4,7(11),10(15)-triene
(4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene
Synonyms Sources
(−)-β-bisabolene NIST Chemistry WebBook
(S)-(−)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene NIST Chemistry WebBook
(S)-1-methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene ChemIDplus
(S)-β-bisabolene UniProt
β-bisabolene NIST Chemistry WebBook
l-β-bisabolene NIST Chemistry WebBook
Manual Xrefs Databases
C00007242 KNApSAcK
C16775 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
2044625 Reaxys Registry Number Reaxys
495-61-4 CAS Registry Number KEGG COMPOUND
495-61-4 CAS Registry Number ChemIDplus
495-61-4 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
18524777 PubMed citation Europe PMC
Last Modified
28 July 2014