Structure Database (LMSD)

Common Name
5beta-hydroxy-6alpha-PGI1
Systematic Name
6R,9S-epoxy-5S,11R,15S-trihydroxy-13E-prostaenoic acid
Synonyms
  • 5beta-hydroxy-6alpha-Prostaglandin I1
  • 5beta-hydroxy-PGI1alpha
  • 5beta-hydroxy-Prostaglandin I1alpha
LM ID
LMFA03010289
Formula
C20H34O6
Exact Mass
Calculate m/z
370.235541
Sum Composition
FA 20:3;O4
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
Ovis aries (#9940)
Mammalia (#40674)
Metabolism of 5(6)Oxidoeicosatrienoic acid by ram seminal vesicles. Formation of two stereoisomers of 5-hydroxyprostaglandin I1.,
J Biol Chem, 1984
Pubmed ID: 6365915

String Representations

InChiKey (Click to copy)
QDAJZCYWALSQIG-QSXTXFDWSA-N
InChi (Click to copy)
InChI=1S/C20H34O6/c1-2-3-4-6-13(21)9-10-14-15-11-19(26-18(15)12-17(14)23)16(22)7-5-8-20(24)25/h9-10,13-19,21-23H,2-8,11-12H2,1H3,(H,24,25)/b10-9+/t13-,14+,15+,16-,17+,18-,19-/m0/s1
SMILES (Click to copy)
[C@@H]1(O)C[C@@H]2O[C@H]([C@@H](O)CCCC(=O)O)C[C@@H]2[C@H]1/C=C/[C@@H](O)CCCCC

Other Databases

PubChem CID
101126615

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 2
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 377.30
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.69
Molar Refractivity 100.22

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Created at
12th Aug 2025
Updated at
12th Aug 2025