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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03010026
Common Name15-keto-PGF2α
Systematic Name9S,11R-dihydroxy-15-oxo-5Z,13E-prostadienoic acid
Synonyms15-keto-Prostaglandin F2α; 15k-PGF2a
Exact Mass
352.2250 (neutral)    Calculate m/z:
FormulaC20H32O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
AbbrevFA 20:4;O3
LIPIDBANK IDXPR1511
PubChem CID5280887
KEGG IDC05960
HMDB IDHMDB0004240
CHEBI ID28442
CAYMAN ID10007227
InChIKeyLOLJEILMPWPILA-AMFHKTBMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+,19-/m1/s1
Click to highlight InChI
SMILES
[C@H]1(/C=C/C(=O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
Click to highlight SMILES
MS SpectraView MoNA MS spectra     
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
375.59Topological Polar
Surface Area
94.83Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP3.82Molar
Refractivity
98.17