LIPID MAPS® Maintenance
Routine maintanance of the LIPID MAPS® web systems is scheduled for Friday 25th September, 2020.
LIPID MAPS® services will be 'at risk' all day. We apologise for any inconvenience this may cause.

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]
AbbrevFA 20:3;O4
LIPIDBANK IDXPR1715
PubChem CID174013
HMDB IDHMDB01979
CAYMAN ID15270
InChIKeyKBHLXKOKUVJZIS-MKXGPGLRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=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
Click to highlight InChI
SMILES
[C@H]1(CCC(=O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O
Click to highlight SMILES
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