Structure Database (LMSD)

Common Name
PGF2alpha-EA
Systematic Name
N-(9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl)-ethanolamine
Synonyms
  • Prostaglandin F2alpha-EA
  • Prostamide-F2alpha
  • PMF2alpha
LM ID
LMFA03010075
Status
Active
Exact Mass
Calculate m/z
397.282824
Formula
C22H39NO5
Show lipids differing only in stereochemistry/bond geometry
View lipid standard
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

String Representations

InChiKey (Click to copy)
XCVCLIRZZCGEMU-WLOFLUCMSA-N
InChi (Click to copy)
InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-,21+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO

References

Other Databases

CHEBI ID
53081
LIPIDBANK ID
XPR1757
PubChem CID
5283076
SwissLipids ID
SLM:000390044
Cayman ID
10007222

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 423.83
Topological Polar Surface Area 110.02
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 5
logP 3.50
Molar Refractivity 113.12

Admin

Created at
-
Updated at
-