(-)-Prostaglandin E1
PubChem CID: 5353401
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| Compound Synonyms | Prostavasin, (-)-Prostaglandin E1, NSC165559, Prostaglandin E-1, CHEMBL3276444, Cyclopentaneheptanoic acid, (+)-, Cyclopentaneheptanoic acid, (-)-, STL451007, 7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid, AKOS015902701, L000478, (13E)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid, 11.alpha.,15.alpha.-Dihydroxy-9-oxo-13-trans-prostenoic acid, Cyclopentaneheptanoic acid, 3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-, Prost-13-en-1-oic acid,15-dihydroxy-9-oxo-, (11.alpha.,13E,15S)-, (1R,3R)-3-Hydroxy-2-[(E)-(3S)-3-hydroxy-1-octenyl]-5-oxocynlopentaneheptanoic acid |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | GMVPRGQOIOIIMI-OUKQBFOZSA-N |
| Rotatable Bond Count | 13.0 |
| Synonyms | 7-{3-hydroxy-2-[(1E)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl}heptanoate |
| Heavy Atom Count | 25.0 |
| Compound Name | (-)-Prostaglandin E1 |
| Kingdom | Organic compounds |
| Description | Prostaglandin e-1 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 e-1 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Prostaglandin e-1 can be found in garden onion and soft-necked garlic, which makes prostaglandin e-1 a potential biomarker for the consumption of these food products. |
| Exact Mass | 354.241 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.241 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 354.5 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid |
| Total Atom Stereocenter Count | 4.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Total Bond Stereocenter Count | 1.0 |
| Class | Fatty Acyls |
| 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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+ |
| Smiles | CCCCCC(/C=C/C1C(CC(=O)C1CCCCCCC(=O)O)O)O |
| Xlogp | 3.2 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 1.0 |
| Subclass | Eicosanoids |
| Taxonomy Direct Parent | Prostaglandins and related compounds |
| Molecular Formula | C20H34O5 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all