Structure Database (LMSD)

Common Name
Trioxilin A4
Systematic Name
8,11,12-trihydroxy-5Z,9E,14Z,17Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03090018
Formula
Exact Mass
Calculate m/z
352.224976
Sum Composition
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bos taurus (#9913)
Mammalia (#40674)
Formation of hepoxilin A4, B4 and the corresponding trioxilins from 12(S)-hydroperoxy-5,8,10,14,17-icosapentaenoic acid.,
Prostaglandins Leukot Med, 1986
Pubmed ID: 3012585

String Representations

InChiKey (Click to copy)
GWRXSUUNZUWJCL-VZJNBGJCSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h3-4,6-7,9-10,15-19,21-23H,2,5,8,11-14H2,1H3,(H,24,25)/b4-3-,9-7-,10-6-,16-15+
SMILES (Click to copy)
C(CCC/C=C\CC(O)/C=C/C(O)C(O)C/C=C\C/C=C\CC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 25
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 385.31
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.99
Molar Refractivity 101.75

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Created at
6th Nov 2025
Updated at
7th Nov 2025