Structure Database (LMSD)

Common Name
20-carboxy-13,14-dihydro-15-keto-tetranor PGF2beta
Systematic Name
9R,11R-dihydroxy-15-oxo-2,3,4,5-tetranor-prostane-1,20-dioic acid
Synonyms
  • omega-carboxy-alpha-tetranor 15KD PGF2beta
  • 20-carboxy-13,14-dihydro-15-keto-tetranor Prostaglandin F2beta
LM ID
LMFA03010260
Formula
C16H26O7
Exact Mass
Calculate m/z
330.167856
Sum Composition
FA 16:3;O5
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
The identification of 5beta,7alpha-dihydroxy-11-oxotetranor-prostane-1,16-dioic acid as a urinary metabolite of prostaglandin F2alpha in the rat.,
Biochim Biophys Acta, 1979
Pubmed ID: 427184

String Representations

InChiKey (Click to copy)
IGRHJCFWWOQYQE-AAVRWANBSA-N
InChi (Click to copy)
InChI=1S/C16H26O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-14,18-19H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,13-,14-/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC(=O)O)[C@H](O)C[C@@H](O)[C@@H]1CCC(=O)O

Other Databases

PubChem CID
52194014

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 326.61
Topological Polar Surface Area 132.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 1.78
Molar Refractivity 81.85

Admin

Created at
23rd Jul 2025
Updated at
1st Aug 2025