Prostaglandin F-1-alpha
PubChem CID: 5353905
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| Compound Synonyms | Prostaglandin F-1-alpha, BDBM82092, CAS_5280939, NSC_5280939 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Description | Prostaglandin f-1-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-1-alpha is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Prostaglandin f-1-alpha can be found in soft-necked garlic, which makes prostaglandin f-1-alpha a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 396.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid |
| Nih Violation | False |
| Class | Fatty Acyls |
| Xlogp | 3.5 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Eicosanoids |
| Molecular Formula | C20H36O5 |
| Inchi Key | DZUXGQBLFALXCR-OUKQBFOZSA-N |
| Rotatable Bond Count | 13.0 |
| Synonyms | 7-{3,5-dihydroxy-2-[(1E)-3-hydroxyoct-1-en-1-yl]cyclopentyl}heptanoate, Prostaglandin F-1-a, Prostaglandin F-1-α |
| Compound Name | Prostaglandin F-1-alpha |
| Kingdom | Organic compounds |
| Exact Mass | 356.256 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 356.256 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 356.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C20H36O5/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/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+ |
| Smiles | CCCCCC(/C=C/C1C(CC(C1CCCCCCC(=O)O)O)O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Prostaglandins and related compounds |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all