Structure Database (LMSD)

Common Name
6,15-dioxo-13,14-dihydro-2,3-dinor-PGF1alpha
Systematic Name
6,15-dioxo-9S,11R-dihydroxy-2,3-dinor-prostanoic acid
Synonyms
  • 6,15-dioxo-13,14-dihydro-2,3-dinor-Prostaglandin F1alpha
  • 7alpha,9alpha-dihydroxy-4,13-diketo-dinor-PGF1alpha
LM ID
LMFA03010308
Formula
C18H30O6
Exact Mass
Calculate m/z
342.204241
Sum Composition
FA 18:3;O4
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oryctolagus cuniculus (#9986)
Mammalia (#40674)
Metabolism of prostacyclin in the rabbit kidney,
J Biol Cherm, 1979
Pubmed ID: 363716

String Representations

InChiKey (Click to copy)
FZTXIQMBHHBLDO-VQHPVUNQSA-N
InChi (Click to copy)
InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h14-17,21-22H,2-11H2,1H3,(H,23,24)/t14-,15-,16-,17+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 352.42
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.67
Molar Refractivity 89.51

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Created at
22nd Aug 2025
Updated at
22nd Aug 2025