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> Main
CHEBI:5331 - geranyl acetate
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ChEBI Ontology
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ChEBI Name
geranyl acetate
ChEBI ID
CHEBI:5331
Definition
A monoterpenoid that is the acetate ester derivative of geraniol.
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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/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
InChIKey
HIGQPQRQIQDZMP-DHZHZOJOSA-N
SMILES
CC(C)=CCC\C(C)=C\COC(C)=O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
geranyl acetate (
CHEBI:5331
)
has functional parent
geraniol (
CHEBI:17447
)
geranyl acetate (
CHEBI:5331
)
has role
plant metabolite (
CHEBI:76924
)
geranyl acetate (
CHEBI:5331
)
is a
acetate ester (
CHEBI:47622
)
geranyl acetate (
CHEBI:5331
)
is a
monoterpenoid (
CHEBI:25409
)
IUPAC Name
(2
E
)-3,7-dimethylocta-2,6-dien-1-yl acetate
Synonyms
Sources
(2
E
)-geranyl acetate
UniProt
trans
-3,7-dimethyl-2,6-octadien-1-yl acetate
ChEBI
Manual Xrefs
Databases
C00003046
KNApSAcK
C09861
KEGG COMPOUND
CPD-9758
MetaCyc
Geranyl_acetate
Wikipedia
HMDB0035157
HMDB
View more database links
Registry Numbers
Types
Sources
105-87-3
CAS Registry Number
KEGG COMPOUND
105-87-3
CAS Registry Number
NIST Chemistry WebBook
1722815
Reaxys Registry Number
Reaxys
Citation
Type
Source
25698327
PubMed citation
Europe PMC
Last Modified
28 October 2020