Structure Database (LMSD)

Common Name
2,3-dinor-PGF1alpha
Systematic Name
9S,11R,15S-trihydroxy-13E-2,3-dinor-prostaenoic acid
Synonyms
  • 2,3-dinor-Prostaglandin F1alpha
LM ID
LMFA03010286
Formula
C18H32O5
Exact Mass
Calculate m/z
328.224976
Sum Composition
FA 18:2;O3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Oxo fatty acids [FA0106]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
The metabolism of prostaglandin F2-alpha in the rat.,
Biochim Biophys Acta, 1971
Pubmed ID: 5089691

String Representations

InChiKey (Click to copy)
XHHYJZGDOMKLEE-IJKMCFRVSA-N
InChi (Click to copy)
InChI=1S/C18H32O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,16-,17+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CCCCC(=O)O

Other Databases

PubChem CID
101611244

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 346.27
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.35
Molar Refractivity 90.54

Admin

Created at
7th Aug 2025
Updated at
7th Aug 2025