Structure Database (LMSD)

Common Name
20-carboxy-2,3,18,19-tetranor-13,14-dihydro-PGD2
Systematic Name
9S,15S-dihydroxy-11-oxo-2,3,18,19-tetranor-5Z-prosten-1,20-dioic acid
Synonyms
  • 20-carboxy-2,3,18,19-tetranor-13,14-dihydro-Prostaglandin D2
LM ID
LMFA03010300
Formula
C16H24O7
Exact Mass
Calculate m/z
328.152205
Sum Composition
FA 16:4;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]
Dicarboxylic acids [FA0117]
Hydroxy fatty acids [FA0105]
Oxo fatty acids [FA0106]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Metabolic fate of endogenously synthesized prostaglandin D2 in a human female with mastocytosis.,
Prostaglandins, 1985
Pubmed ID: 3864190

String Representations

InChiKey (Click to copy)
LVJBDJWYEOEVER-BMPBWQMISA-N
InChi (Click to copy)
InChI=1S/C16H24O7/c17-10(6-8-16(22)23)5-7-12-11(13(18)9-14(12)19)3-1-2-4-15(20)21/h1-2,10-13,17-18H,3-9H2,(H,20,21)(H,22,23)/b2-1-/t10-,11-,12-,13+/m1/s1
SMILES (Click to copy)
[C@H]1(CC[C@@H](O)CCC(=O)O)C(=O)C[C@H](O)[C@@H]1C/C=C\CC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 323.97
Topological Polar Surface Area 132.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 1.55
Molar Refractivity 81.76

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Created at
18th Aug 2025
Updated at
18th Aug 2025