Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03010013
Common Name13,14-dihydro-6,15-diketo-PGF1α
Systematic Name6,15-dioxo-9S,11R-dihydroxyprostanoic acid
Synonyms13,14-dihydro-6,15-diketo-Prostaglandin F1α
Exact Mass
370.2355 (neutral)    Calculate m/z:
FormulaC20H34O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
LIPIDBANK IDXPR1715
PubChem CID174013
HMDB IDHMDB01979
CAYMAN ID15270
InChIKeyKBHLXKOKUVJZIS-MKXGPGLRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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[C@H]1(CCC(=O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
384.38Topological Polar
Surface Area
111.90Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP3.23Molar
Refractivity
98.65