Structure Database (LMSD)

Systematic Name
11,12,20-trihydroxy-5Z,8Z,14Z-eicosatrienoic acid
Synonyms
LM ID
LMFA03050038
Formula
Exact Mass
Calculate m/z
354.240626
Sum Composition
Status
Curated

Classification

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)
NPBISKIDYJLTBE-WDVHGCLESA-N
InChi (Click to copy)
InChI=1S/C20H34O5/c21-17-13-9-5-4-7-11-15-19(23)18(22)14-10-6-2-1-3-8-12-16-20(24)25/h1,3,6-7,10-11,18-19,21-23H,2,4-5,8-9,12-17H2,(H,24,25)/b3-1-,10-6-,11-7-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\CC(O)C(O)C/C=C\CCCCCO)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 25
Rings
Aromatic Rings
Rotatable Bonds 16
Van der Waals Molecular Volume 387.95
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.21
Molar Refractivity 101.84

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Created at
8th Aug 2025
Updated at
8th Aug 2025