Structure Database (LMSD)

Common Name
13,14-dihydro-15-keto-tetranor PGF2beta
Systematic Name
9R,11R-dihydroxy-15-oxo-2,3,4,5-tetranor-prostanoic acid
Synonyms
  • 5beta,7alpha-Dihydroxy-11-ketotetranor-prostanoic acid
  • alpha-tetnor 1KD PGF2beta
LM ID
LMFA03010261
Formula
C16H28O5
Exact Mass
Calculate m/z
300.193676
Sum Composition
FA 16:2;O3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cavia porcellus (#10141)
Mammalia (#40674)
On the metabolism of prostaglandins E 1 and E 2 in the guinea pig.,
J Biol Chem, 1972
Pubmed ID: 5030629

String Representations

InChiKey (Click to copy)
UIZLUZTVNFGFMX-KBUPBQIOSA-N
InChi (Click to copy)
InChI=1S/C16H28O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h12-15,18-19H,2-10H2,1H3,(H,20,21)/t12-,13-,14-,15-/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC)[C@H](O)C[C@@H](O)[C@@H]1CCC(=O)O

Other Databases

CHEBI ID
183852
PubChem CID
52195782

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 311.67
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.71
Molar Refractivity 79.89

Admin

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