Structure Database (LMSD)

Common Name
13,14-dihydro-15-keto-PGD1
Systematic Name
9S-hydroxy-11,15-dioxo-prostanoic acid
Synonyms
  • 13,14-dihydro-15-keto-Prostaglandin D1
  • 9alpha-hydroxy-11,15-dioxo-prost-1-oic acid
LM ID
LMFA03010255
Formula
C20H34O5
Exact Mass
Calculate m/z
354.240626
Sum Composition
FA 20:3;O3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View spectra on LIPID MAPS Standard Spectra DB

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

Biological Context

13,14-dihydro-15-keto Prostaglandin D1 (13,14-dihydro-15-keto PGD1) is the theoretical metabolite of PGD1 via the 15-hydroxy PG dehydrogenase metabolic pathway. No biological studies for this compound have been reported.

This information has been provided by Cayman Chemical

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Oxylipin standard

String Representations

InChiKey (Click to copy)
WTCAXDJXNVRHRC-KURKYZTESA-N
InChi (Click to copy)
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h16-18,22H,2-14H2,1H3,(H,24,25)/t16-,17-,18+/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC)C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O

Other Databases

CHEBI ID
193200
PubChem CID
35028403
Cayman ID
10010425

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 378.23
Topological Polar Surface Area 91.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.19
Molar Refractivity 96.84

Admin

Created at
15th May 2025
Updated at
15th May 2025