Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03010024
Common Name19R-hydroxy-PGE2
Systematic Name9-oxo-11R,15S,19R-trihydroxy-5Z,13E-prostadienoic acid
Synonyms19(R)-hydroxy-Prostaglandin E2; 19-hydroxy-PGE2; 19-OH-PGE2
Exact Mass
368.2199 (neutral)    Calculate m/z:
FormulaC20H32O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
LIPIDBANK IDXPR1713
PubChem CID5283038
HMDB IDHMDB0001908
CAYMAN ID14910
InChIKeyWTJYDBMHYPQFNJ-ZUVVJKHESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-1
0-20(25)26/h2,4,11-12,14-17,19,21-22,24H,3,5-10,13H2,1H3,(H,25,26)/b4-2-,12-11+/
t14-,15+,16-,17-,19-/m1/s1
SMILES[C@H]1(/C=C/[C@@H](O)CCC[C@H](O)C)[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
384.38Topological Polar
Surface Area
115.06Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP3.08Molar
Refractivity
100.07