CHEBI:49263 - (S)-β-bisabolene

ChEBI IDCHEBI:49263
ChEBI Name(S)-β-bisabolene
Stars
ASCII Name(S)-beta-bisabolene
DefinitionA β-bisabolene which has (1S)-configuration.
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]1(C(=C)CCC=C(C)C)CC=C(C)CC1
InChIInChI=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
InChIKeyXZRVRYFILCSYSP-OAHLLOKOSA-N
Roles Classification
Biological Role:
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)
(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 Relation(s)
(R)-β-bisabolene (CHEBI:49266) is enantiomer of (S)-β-bisabolene (CHEBI:49263)
IUPAC Names 
(4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene
(1S)-bisabola-4,7(11),10(15)-triene
Synonyms  Source
β-bisaboleneNIST Chemistry WebBook
(S)-1-methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexeneChemIDplus
(−)-β-bisaboleneNIST Chemistry WebBook
l-β-bisaboleneNIST Chemistry WebBook
(S)-(−)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadieneNIST Chemistry WebBook
UniProt Name  Source
(S)-β-bisaboleneUniProt
Manual XrefsDatabases
C16775KEGG COMPOUND
C00007242KNApSAcK
Registry NumbersSources
Reaxys:2044625Reaxys
CAS:495-61-4NIST Chemistry WebBook
CAS:495-61-4ChemIDplus
CAS:495-61-4KEGG COMPOUND
Citations