(E,Z)-(1R,2R,3R,5S)-7-(3,5-Dihydroxy-2-((3S)-(3-hydroxy-1-octenyl))cyclopentyl)-5-heptenoic acid
PubChem CID: 5353586
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (E,Z)-(1R,2R,3R,5S)-7-(3,5-Dihydroxy-2-((3S)-(3-hydroxy-1-octenyl))cyclopentyl)-5-heptenoic acid, Prostaglandin F-2-alpha, SCHEMBL1650065, PXGPLTODNUVGFL-RTYMFESYSA-N, AKOS015892799, NS00005455, L000705 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Description | Prostaglandin f-2-alpha 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. Prostaglandin f-2-alpha is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Prostaglandin f-2-alpha can be found in soft-necked garlic and tarragon, which makes prostaglandin f-2-alpha a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid |
| Nih Violation | False |
| Class | Fatty Acyls |
| Xlogp | 2.7 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Eicosanoids |
| Molecular Formula | C20H34O5 |
| Inchi Key | PXGPLTODNUVGFL-RTYMFESYSA-N |
| Rotatable Bond Count | 12.0 |
| Synonyms | (5E)-7-{3,5-dihydroxy-2-[(1E)-3-hydroxyoct-1-en-1-yl]cyclopentyl}hept-5-enoate, Prostaglandin F-2-a, Prostaglandin F-2-α |
| Compound Name | (E,Z)-(1R,2R,3R,5S)-7-(3,5-Dihydroxy-2-((3S)-(3-hydroxy-1-octenyl))cyclopentyl)-5-heptenoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 354.241 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 354.241 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 354.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+ |
| Smiles | CCCCCC(/C=C/C1C(CC(C1C/C=C/CCCC(=O)O)O)O)O |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Prostaglandins and related compounds |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Source_db:fooddb_chem_all