Structure Database (LMSD)

Common Name
19-hydroxy-13,14-dihydro-2,3,4,5-tetranor-PGF2alpha
Systematic Name
9S,11R,15S,19-tetrahydroxy-2,3,4,5-tetranor-prostanoic acid
Synonyms
  • 19-hydroxy-13,14-dihydro 2,3,4,5-tetranor-Prostaglandin F2alpha
LM ID
LMFA03010293
Formula
C16H30O6
Exact Mass
Calculate m/z
318.204241
Sum Composition
FA 16:1;O4
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 metabolism of prostaglandin F2-alpha in the rat.,
Biochim Biophys Acta, 1971
Pubmed ID: 5089691

String Representations

InChiKey (Click to copy)
ICOVNPXUEMSKLH-JTBRSMCESA-N
InChi (Click to copy)
InChI=1S/C16H30O6/c1-10(17)3-2-4-11(18)5-6-12-13(7-8-16(21)22)15(20)9-14(12)19/h10-15,17-20H,2-9H2,1H3,(H,21,22)/t10?,11-,12+,13+,14+,15-/m0/s1
SMILES (Click to copy)
[C@H]1(CC[C@@H](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 323.10
Topological Polar Surface Area 118.22
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 2.05
Molar Refractivity 83.30

Admin

Created at
15th Aug 2025
Updated at
15th Aug 2025