Metabolite 15-keto-PGE1
- Name
- 15-keto-PGE1
- Description
- Not Available
- Structure
Structure for 15-keto-PGE1
- Synonyms
- Not Available
- UNII
- 63FR527UJ6
- CAS number
- Not Available
- Weight
- Average: 352.471
Monoisotopic: 352.22497413 - Chemical Formula
- C20H32O5
- InChI Key
- VXPBDCBTMSKCKZ-XQHNHVHJSA-N
- InChI
- InChI=1S/C20H32O5/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/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,19-/m1/s1
- IUPAC Name
- 7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl]heptanoic acid
- SMILES
- CCCCCC(=O)\C=C\[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
- Human Metabolome Database
- HMDB0001320
- KEGG Compound
- C04654
- ChemSpider
- 4444295
- ChEBI
- 15548
- ZINC
- ZINC000100013581
- Predicted Properties
Property Value Source Water Solubility 0.0507 mg/mL ALOGPS logP 3.37 ALOGPS logP 4 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 4.35 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 13 Chemaxon Refractivity 97.42 m3·mol-1 Chemaxon Polarizability 40.91 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