Structure Database (LMSD)

Systematic Name
11,12-dihydroxy-19-oxo-5Z,8Z,14Z-eicosatrienonic acid
Synonyms
LM ID
LMFA03050042
Formula
C20H32O5
Exact Mass
Calculate m/z
352.224976
Sum Composition
FA 20:4;O3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Oxo fatty acids [FA0106]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oryctolagus cuniculus (#9986)
Mammalia (#40674)
Oxygenation of arachidonic acid by hepatic microsomes of the rabbit. Mechanism of biosynthesis of two vicinal dihydroxyeicosatrienoic acids.,
Biochim Biophys Acta, 1981
Pubmed ID: 6798994

String Representations

InChiKey (Click to copy)
FFUYSEQPOBTWAT-PFOCCQFLSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-17(21)13-9-7-8-11-15-19(23)18(22)14-10-5-3-2-4-6-12-16-20(24)25/h2,4-5,8,10-11,18-19,22-23H,3,6-7,9,12-16H2,1H3,(H,24,25)/b4-2-,10-5-,11-8-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\CC(O)C(O)C/C=C\CCCC(=O)C)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 25
Rings
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 385.31
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.13
Molar Refractivity 100.33

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Created at
19th Aug 2025
Updated at
19th Aug 2025