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]

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