Structure Database (LMSD)

Common Name
omega-hydroxy-2,3-dinor-13,14-dihydro-15-keto-PGD2
Systematic Name
11,15-dioxo-9S,20-dihydroxy-2,3-dinor-5Z-prostenoic acid
Synonyms
  • 20-hydroxy-2,3-dinor-13,14-dihydro-15-keto-Prostaglandin D2
LM ID
LMFA03010275
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]
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)
KTCVXTYYHKBNCT-OFMMPJDCSA-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/h3-4,14-16,19,21H,1-2,5-12H2,(H,23,24)/b4-3-/t14-,15-,16+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=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 12
Van der Waals Molecular Volume 349.78
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.45
Molar Refractivity 89.42

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