Structure Database (LMSD)

Common Name
19-hydroxy-8-iso-PGF1alpha
Systematic Name
8β-9S,11R,15S,19-tetrahydroxy-13E-prostaenoic acid
Synonyms
  • 19-hydroxy-8-iso-Prostaglandin F1alpha
LM ID
LMFA03010307
Formula
Exact Mass
Calculate m/z
372.251191
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)
JRNZEGAFLBTZDT-UQPUDFRRSA-N
InChi (Click to copy)
InChI=1S/C20H36O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h11-12,14-19,21-24H,2-10,13H2,1H3,(H,25,26)/b12-11+/t14?,15-,16-,17+,18-,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCC(O)C)[C@H](O)C[C@H](O)[C@H]1CCCCCCC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings
Rotatable Bonds 13
Van der Waals Molecular Volume 389.66
Topological Polar Surface Area 118.22
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 3.38
Molar Refractivity 101.68

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Created at
22nd Aug 2025
Updated at
22nd Aug 2025