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ChEBI
> Main
CHEBI:61344 - (
S
)-β-macrocarpene
Main
ChEBI Ontology
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ChEBI Name
(
S
)-β-macrocarpene
ChEBI ID
CHEBI:61344
ChEBI ASCII Name
(S)-beta-macrocarpene
Definition
A sesquiterpene that is 1,1'-bi(cyclohexane)-1,3'-diene substituted at positions 4', 5, and 5 by methyl groups (the
S
- enantiomer).
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C15H24
Net Charge
0
Average Mass
204.352
Monoisotopic Mass
204.18780
InChI
InChI=1S/C15H24/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h5-6,13H,4,7-11H2,1-3H3/t13-/m1/s1
InChIKey
BKRLNEMLMVJATK-CYBMUJFWSA-N
SMILES
C1(C)=CC[C@@](C=2CC(CCC2)(C)C)(CC1)[H]
ChEBI Ontology
Outgoing
(
S
)-β-macrocarpene (
CHEBI:61344
)
is a
cyclic hydrocarbon (
CHEBI:33663
)
(
S
)-β-macrocarpene (
CHEBI:61344
)
is a
sesquiterpene (
CHEBI:35189
)
Incoming
(
S
)-β-macrocarpen-15-ol (
CHEBI:141850
)
has functional parent
(
S
)-β-macrocarpene (
CHEBI:61344
)
IUPAC Name
(1'
S
)-4',5,5-trimethyl-1,1'-bi(cyclohexane)-1,3'-diene
Synonyms
Sources
(−)-β-macrocarpene
ChEBI
(
S
)-β-macrocarpene
UniProt
Manual Xref
Database
CPD-12759
MetaCyc
View more database links
Registry Number
Type
Source
10666844
Reaxys Registry Number
Reaxys
Citation
Type
Source
18524777
PubMed citation
Europe PMC
Last Modified
02 October 2018