Structure Database (LMSD)

Systematic Name
14,15,19-trihydroxy-5Z,8Z,11Z-eicosatrienoic acid
Synonyms
LM ID
LMFA03050040
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)
JADVHIPZKRGFLD-HGUHJZMRSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/c1-17(21)13-12-15-19(23)18(22)14-10-8-6-4-2-3-5-7-9-11-16-20(24)25/h2,4-5,7-8,10,17-19,21-23H,3,6,9,11-16H2,1H3,(H,24,25)/b4-2-,7-5-,10-8-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\CC(O)C(O)CCCC(O)C)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 25
Rings
Aromatic Rings
Rotatable Bonds 15
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
11th Aug 2025
Updated at
11th Aug 2025