Structure Database (LMSD)

Common Name
20-hydroxy Dinor-PGD2
Systematic Name
2,3-dinor-9S,15S,20-trihydroxy-11-oxo-5Z,13E-prostadienoic acid
Synonyms
  • omega-hydroxy Dinor-PGD2
  • 20-hydroxy Dinor-Prostaglandin D2
LM ID
LMFA03010279
Formula
C18H28O6
Exact Mass
Calculate m/z
340.188591
Sum Composition
FA 18:4;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
Macaca mulatta (#9544)
Mammalia (#40674)
Metabolism of prostaglandin D2 in the monkey,
J Biol Chem, 1979
Pubmed ID: 108269

String Representations

InChiKey (Click to copy)
CHVMSZVREDFSKW-JEZUUBLBSA-N
InChi (Click to copy)
InChI=1S/C18H28O6/c19-11-5-1-2-6-13(20)9-10-15-14(16(21)12-17(15)22)7-3-4-8-18(23)24/h3-4,9-10,13-16,19-21H,1-2,5-8,11-12H2,(H,23,24)/b4-3-,10-9+/t13-,14+,15+,16-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCCO)C(=O)C[C@H](O)[C@@H]1C/C=C\CC(O)=O

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 349.78
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.30
Molar Refractivity 90.84

Admin

Created at
1st Aug 2025
Updated at
1st Aug 2025