Structure Database (LMSD)

Common Name
pentanor-PGF1alpha
Systematic Name
9S,11R,15S-trihydroxy-13E-2,3,4,5,6-petanor-prostaenoic acid
Synonyms
  • pentanor-Prostaglandin F1alpha
  • pentanor-Prostaglandin F2alpha
  • pentanor-PGF1alpha
LM ID
LMFA03010315
Formula
C15H26O5
Exact Mass
Calculate m/z
286.178025
Sum Composition
FA 15:2;O3
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)
Hepatic metabolism of prostacyclin (PGI2) in the rabbit: formation of a potent novel inhibitor of platelet aggregation.,
Biochem Biophys Res Commun, 1980
Pubmed ID: 6992772

String Representations

InChiKey (Click to copy)
UCRYUXJCACOTHB-FNLFQXNBSA-N
InChi (Click to copy)
InChI=1S/C15H26O5/c1-2-3-4-5-10(16)6-7-11-12(8-15(19)20)14(18)9-13(11)17/h6-7,10-14,16-18H,2-5,8-9H2,1H3,(H,19,20)/b7-6+/t10-,11+,12+,13+,14-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CC(=O)O

Other Databases

PubChem CID
15518059

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings
Rotatable Bonds 8
Van der Waals Molecular Volume 294.37
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 2.18
Molar Refractivity 76.69

Admin

Created at
27th Aug 2025
Updated at
27th Aug 2025