(1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid
PubChem CID: 5280729
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid, 8-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]octanoic acid, 204135-86-4, (9S,13S)-10,11-dihydro-12-oxo-15-phytoenoic acid, OPC-8:0, 8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate, DTXSID30331495, CHEBI:137132, LMFA02010007, 3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acid, C04780, (9S,13S)-10,11-Dihydro-12-oxo-15-phytoenoate, (9S,13S,15Z)-12-Oxo-10,11-dihydrophyto-15-enoate, (1S,2S)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-octanoic acid, 8-{(1S,2S)-3-Oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}octanoic acid |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | BZXZFDKIRZBJEP-JMTMCXQRSA-N |
| Rotatable Bond Count | 11.0 |
| Synonyms | OPC-8:0 |
| Heavy Atom Count | 21.0 |
| Compound Name | (1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid |
| Description | 3-oxo-2-(2-entenyl)cyclopentaneoctanoic acid, also known as opc-8:0, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Thus, 3-oxo-2-(2-entenyl)cyclopentaneoctanoic acid is considered to be an octadecanoid lipid molecule. 3-oxo-2-(2-entenyl)cyclopentaneoctanoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-oxo-2-(2-entenyl)cyclopentaneoctanoic acid can be found in common wheat, corn, eggplant, and flaxseed, which makes 3-oxo-2-(2-entenyl)cyclopentaneoctanoic acid a potential biomarker for the consumption of these food products. |
| Exact Mass | 294.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.219 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 346.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 294.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 8-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]octanoic acid |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,15-16H,2,4-6,8-14H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1 |
| Smiles | CC/C=C\C[C@H]1[C@H](CCC1=O)CCCCCCCC(=O)O |
| Xlogp | 4.7 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C18H30O3 |
- 1. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all