Structure Database (LMSD)

Common Name
2,3-dinor-6,19-dioxo-PGF1alpha
Systematic Name
9S,11R,15S-trihydroxy-2,3-dinor-6,19-dioxo-13E-prostenoic acid
Synonyms
  • 2,3-dinor-6,19-dioxo-PGF1alpha
  • 9alpha,11alpha,15S-2,3-dinor-6,19-dioxoprost-13E-en-1-oic acid
LM ID
LMFA03010282
Formula
C18H28O7
Exact Mass
Calculate m/z
356.183506
Sum Composition
FA 18:4;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
Rattus norvegicus (#10116)
Mammalia (#40674)
Metabolism of prostacyclin. III. Urinary metabolite profile of 6-keto PGF1 alpha in rat.,
Prostaglandins, 1979
Pubmed ID: 386428

String Representations

InChiKey (Click to copy)
HOINUGXRQRNDFC-UUIHAMGFSA-N
InChi (Click to copy)
InChI=1S/C18H28O7/c1-11(19)3-2-4-12(20)5-7-14-15(17(23)10-16(14)22)9-13(21)6-8-18(24)25/h5,7,12,14-17,20,22-23H,2-4,6,8-10H2,1H3,(H,24,25)/b7-5+/t12-,14+,15+,16+,17-/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)CCC(O)=O

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 358.57
Topological Polar Surface Area 132.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 1.70
Molar Refractivity 91.32

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Created at
5th Aug 2025
Updated at
5th Aug 2025