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ChEBI
> Main
CHEBI:133219 - methyl tuberonate
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ChEBI Ontology
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ChEBI Name
methyl tuberonate
ChEBI ID
CHEBI:133219
Definition
A methyl ester derived from tuberonic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C13H20O4
Net Charge
0
Average Mass
240.296
Monoisotopic Mass
240.13616
InChI
InChI=1S/C13H20O4/c1-
17-
13(16)
9-
10-
6-
7-
12(15)
11(10)
5-
3-
2-
4-
8-
14/h2-
3,10-
11,14H,4-
9H2,1H3/b3-
2-
/t10-
,11+/m1/s1
InChIKey
XCZTYYQNVNLGKI-UZAOFVRNSA-N
SMILES
C(=O)(OC)C[C@@H]1[C@@H](C(CC1)=O)C/C=C\CCO
Metabolite of Species
Details
Solanum lycopersicum
(NCBI:txid4081)
Found in fruit
(BTO:0000486)
. See:
MetaboLights Study
Solanum lycopersicum
(NCBI:txid4081)
Found in fruit
(BTO:0000486)
. See:
DOI
Solanum lycopersicum
(NCBI:txid4081)
Found in fruit
(BTO:0000486)
. See:
MetaboLights Study
Solanum lycopersicum
(NCBI:txid4081)
Found in fruit
(BTO:0000486)
. See:
MetaboLights Study
Solanum lycopersicum
(NCBI:txid4081)
Found in fruit
(BTO:0000486)
. See:
MetaboLights Study
Solanum lycopersicum
(NCBI:txid4081)
Found in fruit
(BTO:0000486)
. See:
MetaboLights Study
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
methyl tuberonate (
CHEBI:133219
)
has functional parent
tuberonic acid (
CHEBI:133220
)
methyl tuberonate (
CHEBI:133219
)
has role
plant metabolite (
CHEBI:76924
)
methyl tuberonate (
CHEBI:133219
)
is a
cyclopentanones (
CHEBI:36140
)
methyl tuberonate (
CHEBI:133219
)
is a
homoallylic alcohol (
CHEBI:134362
)
methyl tuberonate (
CHEBI:133219
)
is a
methyl ester (
CHEBI:25248
)
methyl tuberonate (
CHEBI:133219
)
is a
primary alcohol (
CHEBI:15734
)
IUPAC Name
methyl {(1
R
,2
S
)-2-[(2
Z
)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetate
Registry Number
Type
Source
8267807
Reaxys Registry Number
Reaxys
Last Modified
01 March 2017