Structure Database (LMSD)

Common Name
9S,11R-dihydroxy-15-oxo-13,14-dihydro-2,3-dinor-PGF1alpha
Systematic Name
9S,11R-dihydroxy-15-oxo-2,3-dinor-prostanoic acid
Synonyms
  • 9S,11R-dihydroxy-15-oxo-13,14-dihydro-2,3-dinor-Prostaglandin F1alpha
LM ID
LMFA03010287
Formula
C18H32O5
Exact Mass
Calculate m/z
328.224976
Sum Composition
FA 18:2;O3
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
Cavia porcellus (#10141)
Mammalia (#40674)
Metabolism of prostaglandin F 1 in the guinea pig.,
Biochim Biophys Acta, 1972
Pubmed ID: 4345281

String Representations

InChiKey (Click to copy)
QISMVWUPYAEERJ-WCXIOVBPSA-N
InChi (Click to copy)
InChI=1S/C18H32O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h14-17,20-21H,2-12H2,1H3,(H,22,23)/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]1CCCCC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 346.27
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.49
Molar Refractivity 89.12

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Created at
7th Aug 2025
Updated at
7th Aug 2025