Structure Database (LMSD)

Common Name
2,3-dinor-PGB1
Systematic Name
9-oxo-15S-hydroxy-8(12),13E-prostadienoic acid
Synonyms
  • 2,3-dinor-Prostaglandin B1
LM ID
LMFA03010272
Formula
C18H28O4
Exact Mass
Calculate m/z
308.198761
Sum Composition
FA 18:4;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)
HMNYHSIISSKMAO-PABFRNLHSA-N
InChi (Click to copy)
InChI=1S/C18H28O4/c1-2-3-4-7-15(19)12-10-14-11-13-17(20)16(14)8-5-6-9-18(21)22/h10,12,15,19H,2-9,11,13H2,1H3,(H,21,22)/b12-10+/t15-/m0/s1
SMILES (Click to copy)
C1(/C=C/[C@@H](O)CCCCC)CCC(=O)C=1CCCCC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 332.20
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.07
Molar Refractivity 87.17

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