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ChEBI
> Main
CHEBI:78335 - (
S
)-linalyl acetate
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ChEBI Name
(
S
)-linalyl acetate
ChEBI ID
CHEBI:78335
ChEBI ASCII Name
(S)-linalyl acetate
Definition
The (
S
)-enantiomer of linalyl acetate.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H20O2
Net Charge
0
Average Mass
196.28600
Monoisotopic Mass
196.14633
InChI
InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m1/s1
InChIKey
UWKAYLJWKGQEPM-GFCCVEGCSA-N
SMILES
CC(C)=CCC[C@](C)(OC(C)=O)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.
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
S
)-linalyl acetate (
CHEBI:78335
)
has role
plant metabolite (
CHEBI:76924
)
(
S
)-linalyl acetate (
CHEBI:78335
)
has role
volatile oil component (
CHEBI:27311
)
(
S
)-linalyl acetate (
CHEBI:78335
)
is a
3,7-dimethylocta-1,6-dien-3-yl acetate (
CHEBI:78333
)
(
S
)-linalyl acetate (
CHEBI:78335
)
is enantiomer of
(
R
)-linalyl acetate (
CHEBI:78334
)
Incoming
linalyl acetate (
CHEBI:6469
)
has part
(
S
)-linalyl acetate (
CHEBI:78335
)
(
R
)-linalyl acetate (
CHEBI:78334
)
is enantiomer of
(
S
)-linalyl acetate (
CHEBI:78335
)
Synonyms
Sources
(+)-linalyl acetate
ChemIDplus
(3
S
)-3,7-dimethylocta-1,6-dien-3-yl acetate
ChEBI
Registry Numbers
Types
Sources
1724498
Reaxys Registry Number
Reaxys
51685-40-6
CAS Registry Number
ChemIDplus
Last Modified
07 May 2014