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(Q106038987)
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English
tuberonic acid
chemical compound
{(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
jasmonic acids
0 references
mass
226.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[(1S,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
1 reference
based on heuristic
inferred from InChI
12-hydroxyjasmonic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₈O₄
0 references
canonical SMILES
O=C(O)CC1CCC(=O)C1CC=CCCO
0 references
isomeric SMILES
O=C(O)C[C@H]1CCC(=O)[C@H]1C/C=C\CCO
0 references
found in taxon
tomato
2 references
stated in
Ultra-high performance liquid chromatography coupled to high resolution Orbitrap mass spectrometry for metabolomic profiling of the endogenous phytohormonal status of the tomato plant.
stated in
A metabolomics approach to unravel the regulating role of phytohormones towards carotenoid metabolism in tomato fruit
Identifiers
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
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
RZGFUGXQKMEMOO-SZXTZRQCSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
124649-26-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
6443968
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
133220
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
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
SureChEMBL ID
SCHEMBL896682
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RZGFUGXQKMEMOO-SZXTZRQCSA-N
UniChem compound ID
32199472
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101316194
1 reference
matched by identifier from
InChIKey
InChIKey
RZGFUGXQKMEMOO-SZXTZRQCSA-N
Human Metabolome Database ID
HMDB0303749
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RZGFUGXQKMEMOO-SZXTZRQCSA-N
LIPID MAPS ID
LMFA02020007
1 reference
InChIKey
RZGFUGXQKMEMOO-SZXTZRQCSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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