Structure Database (LMSD)

O HO HO O OH
Common Name
13,14-dihydro-15-keto-PGF1alpha
Systematic Name
9S,11R-dihydroxy-15-oxo-prostanoic acid
Synonyms
  • 13,14-dihydro-15-keto-Prostaglandin F1alpha
LM ID
LMFA03010168
Formula
C20H36O5
Exact Mass
Calculate m/z
356.256275
Sum Composition
FA 20:2;O3
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)
FVPKMMQYALWZHV-AKHDSKFASA-N
InChi (Click to copy)
InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h16-19,22-23H,2-14H2,1H3,(H,24,25)/t16-,17-,18+,19-/m1/s1
SMILES (Click to copy)
C(CCCCCC[C@@H]1[C@@H](CCC(=O)CCCCC)[C@H](O)C[C@@H]1O)(=O)O

References

Other Databases

CHEBI ID
134509
PubChem CID
16061100
Cayman ID
15670

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 380.87
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.27
Molar Refractivity 98.36

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Created at
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Updated at
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