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 204.188
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
2044625 Beilstein Registry Number Beilstein
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