Tuberonic acid
PubChem CID: 6443968
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| Compound Synonyms | Tuberonic acid, 124649-26-9, (+)-Tuberonic Acid, 2-[(1R,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid, (1R,2S)-3-oxo-2-(5'-hydroxy-2'Z-pentenyl)-cyclopentaneacetic acid, 2-((1R,2S)-2-((Z)-5-Hydroxypent-2-en-1-yl)-3-oxocyclopentyl)acetic acid, (plus)-Tuberonic acid, 12-hydroxy-epi-jasmonic acid, SCHEMBL896682, 7-Epi-12-hydroxyjasmonic acid, CHEBI:133220, DTXSID101316194, (+)-12-hydroxy-7-isojasmonic acid, LMFA02020007, {(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetic acid, 2-((1R,2S)-2-((Z)-5-Hydroxypent-2-en-1-yl)-3-oxocyclopentyl)aceticacid, [1R-[1a,2a(Z)]]-2-(5-Hydroxy-2-pentenyl)-3-oxo-cyclopentaneacetic Acid, (1R,2S)-2-[(2Z)-5-Hydroxy-2-pentenyl]-3-oxo-cyclopentaneacetic Acid, Tuberonic Acid, 2-((1R,2S)-2-((Z)-5-Hydroxypent-2-en-1-yl)-3-oxocyclopentyl)acetic Acid |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | RZGFUGXQKMEMOO-SZXTZRQCSA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | 7-Epi-12-hydroxyjasmonic acid, Tuberonic acid |
| Heavy Atom Count | 16.0 |
| Compound Name | Tuberonic acid |
| Description | 7-epi-12-hydroxyjasmonic acid, also known as (+)-12-hydroxy-7-isojasmonate, is a member of the class of compounds known as jasmonic acids. Jasmonic acids are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety. Thus, 7-epi-12-hydroxyjasmonic acid is considered to be an octadecanoid lipid molecule. 7-epi-12-hydroxyjasmonic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 7-epi-12-hydroxyjasmonic acid can be synthesized from (+)-7-isojasmonic acid. 7-epi-12-hydroxyjasmonic acid can also be synthesized into N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucine and methyl tuberonate. 7-epi-12-hydroxyjasmonic acid can be found in potato, which makes 7-epi-12-hydroxyjasmonic acid a potential biomarker for the consumption of this food product. |
| Exact Mass | 226.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.121 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 226.27 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 2-[(1R,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| 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 |
| Smiles | C1CC(=O)[C@H]([C@H]1CC(=O)O)C/C=C\CCO |
| Xlogp | 0.4 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C12H18O4 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all