Structure database (LMSD)

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LM IDLMFA03010014
Common Name20-hydroxy-PGE2
Systematic Name9-oxo-11R,15S,20-trihydroxy-5Z,13E-prostadienoic acid
Synonyms20-hydroxy-Prostaglandin E2
Exact Mass
368.2199 (neutral)    Calculate m/z:
FormulaC20H32O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
LIPIDBANK IDXPR1714
PubChem CID5283034
HMDB IDHMDB0003247
CAYMAN ID14950
InChIKeyAZIGEYVZEVXWAD-NZGURKHLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-1
0-20(25)26/h1,5,11-12,15-17,19,21-22,24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+
/t15-,16+,17+,19+/m0/s1
SMILES[C@H]1(/C=C/[C@@H](O)CCCCCO)[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
384.38Topological Polar
Surface Area
115.06Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP3.08Molar
Refractivity
100.07