Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03010056
Common Name15-methyl-15S-PGE1
Systematic Name9-oxo-11R,15S-dihydroxy-15-methyl-13E-prostaenoic acid
Synonyms15-methyl-15S-Prostaglandin E1
Exact Mass
368.2563 (neutral)    Calculate m/z:
FormulaC21H36O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
LIPIDBANK IDXPR1738
PubChem CID5283057
CAYMAN ID13730
InChIKeyOMNFCPCBKCERJP-XBZFKEOQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-1
1-20(24)25/h12,14,16-17,19,23,26H,3-11,13,15H2,1-2H3,(H,24,25)/b14-12+/t16-,17-,
19-,21+/m1/s1
SMILES[C@H]1(/C=C/[C@@](C)(O)CCCCC)[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
395.53Topological Polar
Surface Area
94.83Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP4.44Molar
Refractivity
102.88