Structure Database (LMSD)

Common Name
20-hydroxy-15-oxo-13,14-dihydro-2,3-dinor-PGF2alpha
Systematic Name
9S,11R,15S,20-tetrahydroxy-5Z-2,3-dinorprostenoic acid
Synonyms
  • PGF-mum
  • Prostaglandin F-main urinary metabolite
  • PGF2alpha UM
  • PGF-main urinary metabolite
LM ID
LMFA03010296
Formula
C18H30O6
Exact Mass
Calculate m/z
342.204241
Sum Composition
FA 18:3;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
Homo sapiens (#9606)
Mammalia (#40674)
On the metabolism of prostaglandin F 2 in female subjects. II. Structures of six metabolites.,
J Biol Chem, 1971
Pubmed ID: 5135312

String Representations

InChiKey (Click to copy)
MBJNKTSSQMIPIF-TUXBEBCXSA-N
InChi (Click to copy)
InChI=1S/C18H30O6/c19-11-5-1-2-6-13(20)9-10-15-14(16(21)12-17(15)22)7-3-4-8-18(23)24/h3-4,14-17,19,21-22H,1-2,5-12H2,(H,23,24)/b4-3-/t14-,15-,16+,17-/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCCO)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CC(=O)O

Other Databases

PubChem CID
6443310

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 352.42
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.52
Molar Refractivity 90.93

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Created at
15th Aug 2025
Updated at
15th Aug 2025