Structure Database (LMSD)

Common Name
Delta17-2,3-dinor, 6-keto-PGF1alpha
Systematic Name
6-oxo-9S,11R,15S-trihydroxy-2,3-dinor-13E,17Z-prostadienoic acid
Synonyms
  • Delta17-2,3-dinor, 6-keto-Prostaglandin F1alpha
LM ID
LMFA03010301
Formula
C18H28O6
Exact Mass
Calculate m/z
340.188591
Sum Composition
FA 18:4;O4
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Prostaglandin I3 is formed in vivo in man after dietary eicosapentaenoic acid.,
Nature, 1984
Pubmed ID: 6318123

String Representations

InChiKey (Click to copy)
CUUJOWFVENYEFV-VXRPEJMWSA-N
InChi (Click to copy)
InChI=1S/C18H28O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h3-4,6,8,12,14-17,19,21-22H,2,5,7,9-11H2,1H3,(H,23,24)/b4-3-,8-6+/t12-,14+,15+,16+,17-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)C/C=C\CC)[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 349.78
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.30
Molar Refractivity 90.84

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Created at
18th Aug 2025
Updated at
18th Aug 2025