Structure database (LMSD)

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LM IDLMFA03010165
Common Name13,14-dihydro-19R-hydroxyPGE1
Systematic Name9-oxo-11R,15S,19R-trihydroxy-prostanoic acid
Synonyms13,14-dihydro-19(R)-hydroxyProstaglandin E1
Exact Mass
372.2512 (neutral)    Calculate m/z:
FormulaC20H36O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
AbbrevFA 20:2;O4
PubChem CID16061097
CAYMAN ID13660
InChIKeyHNLDBJMVKYEERT-FSNPWBFUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H36O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h14-17,19,21-22,24H,2-13H2,1H3,(H,25,26)/t14-,15+,16-,17-,19-/m1/s1
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SMILES
C(CCCCCC[C@@H]1[C@@H](CC[C@@H](O)CCC[C@H](O)C)[C@H](O)CC1=O)(=O)O
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MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
389.66Topological Polar
Surface Area
115.06Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP3.53Molar
Refractivity
100.26