Structure Database (LMSD)

Common Name
13,14-dihydro-6,15-diketo-PGF1alpha
Systematic Name
6,15-dioxo-9S,11R-dihydroxyprostanoic acid
Synonyms
  • 13,14-dihydro-6,15-diketo-Prostaglandin F1alpha
LM ID
LMFA03010013
Status
Active
Exact Mass
Calculate m/z
370.23554
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
KBHLXKOKUVJZIS-MKXGPGLRSA-N
InChi (Click to copy)
InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h16-19,23-24H,2-13H2,1H3,(H,25,26)/t16-,17-,18-,19+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O

References

Other Databases

HMDB ID
LIPIDBANK ID
XPR1715
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 384.38
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.23
Molar Refractivity 98.65

Admin

Created at
-
Updated at
-