Structure Database (LMSD)

OH OH HO O O OH
Common Name
13,14-dihydro-19R-hydroxyPGE1
Systematic Name
9-oxo-11R,15S,19R-trihydroxy-prostanoic acid
Synonyms
  • 13,14-dihydro-19(R)-hydroxyProstaglandin E1
LM ID
LMFA03010165
Formula
C20H36O6
Exact Mass
Calculate m/z
372.25119
Sum Composition
FA 20:2;O4
Status
Active
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

String Representations

InChiKey (Click to copy)
HNLDBJMVKYEERT-FSNPWBFUSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C(CCCCCC[C@@H]1[C@@H](CC[C@@H](O)CCC[C@H](O)C)[C@H](O)CC1=O)(=O)O

References

Other Databases

CHEBI ID
165304
PubChem CID
16061097
Cayman ID
13660

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 389.66
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.53
Molar Refractivity 100.26

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Created at
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Updated at
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