Structure Database (LMSD)

Common Name
2,3-dinor-13,14-dihydro-15-keto-PGD2
Systematic Name
11,15-dioxo-9S-hydroxy-2,3-dinor-5Z-prostenoic acid
Synonyms
  • 2,3-dinor-13,14-dihydro-15-keto-Prostaglandin D2
LM ID
LMFA03010274
Formula
C18H28O5
Exact Mass
Calculate m/z
324.193676
Sum Composition
FA 18:4;O3
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]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Macaca fascicularis (#9541)
Mammalia (#40674)
Metabolism of prostaglandin D2 in the monkey,
J Biol Chem, 1979
Pubmed ID: 108269

String Representations

InChiKey (Click to copy)
PPYGOQLBISXMRD-YNOVSXENSA-N
InChi (Click to copy)
InChI=1S/C18H28O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,14-16,20H,2-4,7-12H2,1H3,(H,22,23)/b6-5-/t14-,15-,16+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC)C(=O)C[C@H](O)[C@@H]1C/C=C\CC(=O)O

Other Databases

PubChem CID
44598884

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 340.99
Topological Polar Surface Area 91.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.19
Molar Refractivity 87.52

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Created at
31st Jul 2025
Updated at
31st Jul 2025