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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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 (1
S
)-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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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
(1
S
)-bisabola-4,7(11),10(15)-triene
(4
S
)-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
Type
Source
18524777
PubMed citation
Europe PMC
Last Modified
28 July 2014