Structure Database (LMSD)

Common Name
19-hydroxy-15-oxo-13,14-dihydro-2,3,4,5-tetranor-PGF2alpha
Systematic Name
9S,11R,19-trihydroxy-2,3,4,5-tetranor-prosta-1,20-dioic acid
Synonyms
  • 5alpha,7alpha,15-trihydroxy-11-ketotetranorprostanoic acid
  • 19-hydroxy-15-oxo-13,14-dihydro-2,3,4,5-tetranor-Prostaglandin2alpha
LM ID
LMFA03010304
Formula
C16H28O6
Exact Mass
Calculate m/z
316.188591
Sum Composition
FA 16:2;O4
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Metabolism of prostaglandin F2alpha in the rat.,
Biochim Biophys Acta, 1974
Pubmed ID: 4367966

String Representations

InChiKey (Click to copy)
XBRXFBSFFQVCQC-OLOOJZQVSA-N
InChi (Click to copy)
InChI=1S/C16H28O6/c1-10(17)3-2-4-11(18)5-6-12-13(7-8-16(21)22)15(20)9-14(12)19/h10,12-15,17,19-20H,2-9H2,1H3,(H,21,22)/t10?,12-,13-,14-,15+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCC(O)C)[C@H](O)C[C@H](O)[C@@H]1CCC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 320.46
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 1.97
Molar Refractivity 81.79

Admin

Created at
20th Aug 2025
Updated at
20th Aug 2025