Metabolite 15-keto-PGE0
- Name
- 15-keto-PGE0
- Description
- Not Available
- Structure
Structure for 15-keto-PGE0
- Synonyms
- 13,14-dihydro-15-keto-PGE1 / 13,14-dihydro-15-oxo-PGE1
- UNII
- M3I99MYM0V
- CAS number
- Not Available
- Weight
- Average: 354.487
Monoisotopic: 354.240624195 - Chemical Formula
- C20H34O5
- InChI Key
- CDUVSQMTLOYKTR-ZHALLVOQSA-N
- 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/h16-17,19,23H,2-14H2,1H3,(H,24,25)/t16-,17-,19-/m1/s1
- IUPAC Name
- 7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid
- SMILES
- CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 144898
- ChEBI
- 134499
- ZINC
- ZINC000005820099
- Predicted Properties
Property Value Source Water Solubility 0.0186 mg/mL ALOGPS logP 3.3 ALOGPS logP 4 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 4.3 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 91.67 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 96.33 m3·mol-1 Chemaxon Polarizability 41.52 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon