Structure Database (LMSD)

Common Name
13,14-dihydro-15-keto-20-hydroxy 2,3,4,5-tetranor-PGD2
Systematic Name
2,3,4,5-tetranor-9S,20-trihydroxy-11,15-dioxo-5Z-prostenoic acid
Synonyms
  • 13,14-dihydro-15-keto-20-hydroxy 2,3,4,5-tetranor-Prostaglandin D2
LM ID
LMFA03010280
Formula
C16H26O6
Exact Mass
Calculate m/z
314.17294
Sum Composition
FA 16:3;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)
AKQFWJBYAQGGAB-NFAWXSAZSA-N
InChi (Click to copy)
InChI=1S/C16H26O6/c17-9-3-1-2-4-11(18)5-6-12-13(7-8-16(21)22)15(20)10-14(12)19/h12-13,15,17,20H,1-10H2,(H,21,22)/t12-,13-,15+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCCO)C(=O)C[C@H](O)[C@@H]1CCC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 317.82
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 1.89
Molar Refractivity 80.28

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