Structure Database (LMSD)

Common Name
Hepoxilin A4
Systematic Name
8-hydroxy-11S,12S-epoxy-5Z,9E,14Z,17Z-eicosatetraenoic acid
Synonyms
  • HXA4
LM ID
LMFA03090017
Formula
Exact Mass
Calculate m/z
334.214411
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)
GBSGALHVICSTLU-JHORJHIGSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h3-4,6-7,9-10,15-19,21H,2,5,8,11-14H2,1H3,(H,22,23)/b4-3-,9-7-,10-6-,16-15+/t17?,18-,19-/m0/s1
SMILES (Click to copy)
C(CCC/C=C\CC(O)/C=C/[C@@H]1O[C@H]1C/C=C\C/C=C\CC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings
Rotatable Bonds 13
Van der Waals Molecular Volume 364.16
Topological Polar Surface Area 70.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.03
Molar Refractivity 98.39

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Created at
7th Aug 2025
Updated at
7th Aug 2025