Structure Database (LMSD)

Common Name
20-carboxy-PGE1
Systematic Name
9-oxo-11R,15S,20-trihydroxy-13E-prosten-1,20-dioic acid
Synonyms
  • 20-carboxy-Prostaglandin E1
  • omega-carboxy-PGE1
  • omega-carboxy-Prostaglandin E1
LM ID
LMFA03010262
Formula
C20H32O7
Exact Mass
Calculate m/z
384.214806
Sum Composition
FA 20:4;O5
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oryctolagus cuniculus (#9986)
Mammalia (#40674)
Formation of 20-hydroxyprostaglandins by lungs of pregnant rabbits.,
J Biol Chem, 1978
Pubmed ID: 659437

String Representations

InChiKey (Click to copy)
IOSNGMVUJDOUCM-YLVODBDGSA-N
InChi (Click to copy)
InChI=1S/C20H32O7/c21-14(7-5-6-10-20(26)27)11-12-16-15(17(22)13-18(16)23)8-3-1-2-4-9-19(24)25/h11-12,14-16,18,21,23H,1-10,13H2,(H,24,25)(H,26,27)/b12-11+/t14-,15+,16+,18+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC(=O)O)[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 393.17
Topological Polar Surface Area 132.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.11
Molar Refractivity 100.22

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Created at
23rd Jul 2025
Updated at
23rd Jul 2025