Structure Database (LMSD)

Common Name
2,3,4,5-tetranor-PGB1
Systematic Name
9-oxo-15S-hydroxy-8(12),13E-2,3,4,5-tetranor-prostadienoic acid
Synonyms
  • 2,3,4,5-tetranor-Prostaglandin B1
LM ID
LMFA03010273
Formula
C16H24O4
Exact Mass
Calculate m/z
280.16746
Sum Composition
FA 16:4;O2
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)
Metabolism of prostaglandins in rat liver mitochondria.,
Eur J Biochem, 1968
Pubmed ID: 5725806

String Representations

InChiKey (Click to copy)
HRUGYGLOXPYXAH-CFNZNRNTSA-N
InChi (Click to copy)
InChI=1S/C16H24O4/c1-2-3-4-5-13(17)8-6-12-7-10-15(18)14(12)9-11-16(19)20/h6,8,13,17H,2-5,7,9-11H2,1H3,(H,19,20)/b8-6+/t13-/m0/s1
SMILES (Click to copy)
C1(/C=C/[C@@H](O)CCCCC)CCC(=O)C=1CCC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings
Rotatable Bonds 9
Van der Waals Molecular Volume 297.60
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.29
Molar Refractivity 77.94

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Created at
30th Jul 2025
Updated at
1st Aug 2025