Structure Database (LMSD)

Common Name
Hepoxilin B4
Systematic Name
10-hydroxy-11R,12S- epoxyeicosa-5Z,8Z,14Z,17Z-tetraenoic acid
Synonyms
LM ID
LMFA03090016
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)
OBMDDWFJCHGNRL-CVCWIQEXSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h3-4,6-7,9,11-12,14,17-18,20-21H,2,5,8,10,13,15-16H2,1H3,(H,22,23)/b4-3-,7-6-,12-9-,14-11-/t17?,18-,20+/m0/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C(O)[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