Structure Database (LMSD)

Common Name
PGF2alpha-11-acetate
Systematic Name
9S,15S-dihydroxy-11R-acetoxy-5Z,13E-prostadienoic acid
Synonyms
  • Prostaglandin F2alpha-11-acetate
LM ID
LMFA03010096
Status
Active
Exact Mass
Calculate m/z
396.25119
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)
HQOFFMPYTVAOFE-RBFHUNFKSA-N
InChi (Click to copy)
InChI=1S/C22H36O6/c1-3-4-7-10-17(24)13-14-19-18(11-8-5-6-9-12-22(26)27)20(25)15-21(19)28-16(2)23/h5,8,13-14,17-21,24-25H,3-4,6-7,9-12,15H2,1-2H3,(H,26,27)/b8-5-,14-13+/t17-,18+,19+,20-,21+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](OC(=O)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
XPR8050
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 418.98
Topological Polar Surface Area 104.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.47
Molar Refractivity 109.23

Admin

Created at
-
Updated at
-