Structure Database (LMSD)

Common Name
19-hydroxy-6-keto-PGF1alpha
Systematic Name
6-oxo-9S,11R,15S,19-tetrahydroxy-13E-prostenoic acid
Synonyms
  • 19-hydroxy-6-keto-Prostaglandin F1alpha
LM ID
LMFA03010270
Formula
C20H34O7
Exact Mass
Calculate m/z
386.230456
Sum Composition
FA 20:3;O5
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Oxo fatty acids [FA0106]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oryctolagus cuniculus (#9986)
Mammalia (#40674)
Hepatic metabolism of prostacyclin (PGI2) in the rabbit: formation of a potent novel inhibitor of platelet aggregation.,
Biochem Biophys Res Commun, 1980
Pubmed ID: 6992772

String Representations

InChiKey (Click to copy)
CLWHVWFLLJYCII-XPAMPHAASA-N
InChi (Click to copy)
InChI=1S/C20H34O7/c1-13(21)5-4-7-14(22)9-10-16-17(19(25)12-18(16)24)11-15(23)6-2-3-8-20(26)27/h9-10,13-14,16-19,21-22,24-25H,2-8,11-12H2,1H3,(H,26,27)/b10-9+/t13?,14-,16+,17+,18+,19-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCC(O)C)[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings
Rotatable Bonds 13
Van der Waals Molecular Volume 395.81
Topological Polar Surface Area 135.29
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 2.56
Molar Refractivity 102.07

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Created at
29th Jul 2025
Updated at
29th Jul 2025