Structure Database (LMSD)

Common Name
8-iso-PGF1alpha
Systematic Name
9S,11R,15S-trihydroxy-13E-prostaenoic acid-cyclo[8S,12R]
Synonyms
  • 8-iso-Prostaglandin F1alpha
  • 15-F1t-IsoP
LM ID
LMFA03010258
Formula
Exact Mass
Calculate m/z
356.256276
Sum Composition
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
The F and 19-hydroxy F prostaglandins and their 8 beta-isomers in human seminal plasma: data on chromatography and mass spectrometry.,
Biomed Mass Spectrom, 1983
Pubmed ID: 6640075

String Representations

InChiKey (Click to copy)
DZUXGQBLFALXCR-PUCCXBQTSA-N
InChi (Click to copy)
InChI=1S/C20H36O5/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/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17+,18-,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@H]1CCCCCCC(=O)O

Other Databases

CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings
Rotatable Bonds 13
Van der Waals Molecular Volume 380.87
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.13
Molar Refractivity 99.77

Admin

Created at
16th May 2025
Updated at
26th Aug 2025