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ChEBI
> Main
CHEBI:133220 - tuberonic acid
Main
ChEBI Ontology
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ChEBI Name
tuberonic acid
ChEBI ID
CHEBI:133220
Definition
An oxo monocarboxylic acid that is (+)-7-isojasmonic acid in which one of the hydrogens of the side-chain methyl group is replaced by a hydroxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula
C12H18O4
Net Charge
0
Average Mass
226.269
Monoisotopic Mass
226.12051
InChI
InChI=1S/C12H18O4/c13-
7-
3-
1-
2-
4-
10-
9(8-
12(15)
16)
5-
6-
11(10)
14/h1-
2,9-
10,13H,3-
8H2,(H,15,16)
/b2-
1-
/t9-
,10+/m1/s1
InChIKey
RZGFUGXQKMEMOO-SZXTZRQCSA-N
SMILES
C(=O)(O)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:
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
Solanum lycopersicum
(NCBI:txid4081)
Found in fruit
(BTO:0000486)
. See:
DOI
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
jasmonates
The jasmonates (JAs) are a group of plant hormones which help regulate plant growth and development.
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
tuberonic acid (
CHEBI:133220
)
has functional parent
(+)-7-isojasmonic acid (
CHEBI:18435
)
tuberonic acid (
CHEBI:133220
)
has role
jasmonates (
CHEBI:24937
)
tuberonic acid (
CHEBI:133220
)
has role
plant metabolite (
CHEBI:76924
)
tuberonic acid (
CHEBI:133220
)
is a
cyclopentanones (
CHEBI:36140
)
tuberonic acid (
CHEBI:133220
)
is a
homoallylic alcohol (
CHEBI:134362
)
tuberonic acid (
CHEBI:133220
)
is a
oxo monocarboxylic acid (
CHEBI:35871
)
tuberonic acid (
CHEBI:133220
)
is a
primary alcohol (
CHEBI:15734
)
tuberonic acid (
CHEBI:133220
)
is conjugate acid of
tuberonate (
CHEBI:136182
)
Incoming
N
-[(+)-12-hydroxy-7-isojasmonyl]isoleucine (
CHEBI:137044
)
has functional parent
tuberonic acid (
CHEBI:133220
)
methyl tuberonate (
CHEBI:133219
)
has functional parent
tuberonic acid (
CHEBI:133220
)
tuberonate (
CHEBI:136182
)
is conjugate base of
tuberonic acid (
CHEBI:133220
)
IUPAC Name
{(1
R
,2
S
)-2-[(2
Z
)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetic acid
Synonyms
Sources
(+)-12-hydroxy-7-isojasmonic acid
ChEBI
(1R,2S)-3-oxo-2-(5'-hydroxy-2'Z-pentenyl)-cyclopentaneacetic acid
LIPID MAPS
12-hydroxy-
epi
-jasmonic acid
ChEBI
Manual Xrefs
Databases
4947920
ChemSpider
C00000221
KNApSAcK
LMFA02020007
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
11073168
Reaxys Registry Number
Reaxys
124649-26-9
CAS Registry Number
ChemIDplus
Last Modified
22 August 2017