Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03010033
Common Name13,14-dihydro-15-keto-PGA2
Systematic Name9,15-dioxo-5Z,10-prostadienoic acid
Synonyms13,14-dihydro-15-keto-Prostaglandin A2
Exact Mass
334.2144 (neutral)    Calculate m/z:
FormulaC20H30O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
LIPIDBANK IDXPR1729
PubChem CID5283042
HMDB IDHMDB0001244
CAYMAN ID10007200
InChIKeyFMKLAIBZMCURLI-BFVRRIQPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(2
3)24/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3,(H,23,24)/b7-4-/t16-,18+/m0/s1
SMILES[C@H]1(CCC(=O)CCCCC)C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
364.16Topological Polar
Surface Area
71.44Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP4.49Molar
Refractivity
94.75