Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03010001
Common Name6-keto-PGF1α
Systematic Name6-oxo-9S,11R,15S-trihydroxy-13E-prostenoic acid
Synonyms6-keto-Prostaglandin F1α; 6-oxo-prostaglandin F1α; 6-Oxo-PGF1α
Exact Mass
370.2355 (neutral)    Calculate m/z:
FormulaC20H34O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
LIPIDBANK IDXPR1811
PubChem Compound ID (CID)5280888
METABOLOMICS ID-
KEGG IDC05961
HMDB IDHMDB02886
YMDB ID-
CHEBI ID28158
InChIKeyKFGOFTHODYBSGM-ZUNNJUQCSA-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/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,
17+,18+,19-/m0/s1
SMILESCCCCC[C@@H](O)/C=C/[C@H]1[C@H](CC(=O)CCCCC(O)=O)[C@H](O)C[C@@H]1O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
387.02Topological Polar
Surface Area
115.06Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP3.31Molar
Refractivity
100.16    
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