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> Main
CHEBI:85255 - geranyl acetoacetate
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ChEBI Name
geranyl acetoacetate
ChEBI ID
CHEBI:85255
Definition
A monoterpenoid that is the carboxylic ester obtained by the formal condensation of geraniol with acetoacetic acid.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C14H22O3
Net Charge
0
Average Mass
238.32270
Monoisotopic Mass
238.15689
InChI
InChI=1S/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3/b12-8+
InChIKey
RYILZWKGLGVPOC-XYOKQWHBSA-N
SMILES
CC(=O)CC(=O)OC\C=C(/C)CCC=C(C)C
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in blood serum
(BTO:0000133)
. See:
MetaboLights Study
Roles Classification
Biological Role
(s):
human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
geranyl acetoacetate (
CHEBI:85255
)
has functional parent
acetoacetic acid (
CHEBI:15344
)
geranyl acetoacetate (
CHEBI:85255
)
has functional parent
geraniol (
CHEBI:17447
)
geranyl acetoacetate (
CHEBI:85255
)
has role
human blood serum metabolite (
CHEBI:85234
)
geranyl acetoacetate (
CHEBI:85255
)
is a
carboxylic ester (
CHEBI:33308
)
geranyl acetoacetate (
CHEBI:85255
)
is a
monoterpenoid (
CHEBI:25409
)
IUPAC Name
(2
E
)-3,7-dimethylocta-2,6-dien-1-yl 3-oxobutanoate
Synonym
Source
acetoacetic acid-(3,7-dimethyl-octa-2,6-dienyl ester)
ChEBI
Registry Numbers
Types
Sources
10032-00-5
CAS Registry Number
ChemIDplus
1789343
Reaxys Registry Number
Reaxys
Last Modified
17 March 2015