Structure Database (LMSD)

Common Name
omega-carboxy-2,3,18,19-tetranor-13,14-dihydro-15-keto-PGD2
Systematic Name
9-Hydroxy-11,15-dioxo-2,3,18,19-tetranorprost-5-ene-1,20-dioic acid
Synonyms
  • omega-carboxy-2,3,18,19-tetranor-13,14-dihydro-15-keto-Prostaglandin D2
LM ID
LMFA03010277
Formula
C16H22O7
Exact Mass
Calculate m/z
326.136555
Sum Composition
FA 16:5;O5
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]
Dicarboxylic acids [FA0117]

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)
QRKPLLLQZJCOLR-BWEANOATSA-N
InChi (Click to copy)
InChI=1S/C16H22O7/c17-10(6-8-16(22)23)5-7-12-11(13(18)9-14(12)19)3-1-2-4-15(20)21/h1-2,11-13,18H,3-9H2,(H,20,21)(H,22,23)/b2-1-/t11-,12-,13+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCC(=O)O)C(=O)C[C@H](O)[C@@H]1C/C=C\CC(=O)O

Other Databases

PubChem CID
6441790

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 321.33
Topological Polar Surface Area 128.97
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 1.47
Molar Refractivity 80.24

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