Structure Database (LMSD)

Common Name
Hepoxilin A3
Systematic Name
8-hydroxy-11S,12S-epoxy-5Z,14Z,9E-eicosatrienoic acid
Synonyms
  • HXA3
LM ID
LMFA03090005
Status
Active
Exact Mass
Calculate m/z
336.23006
Formula
Abbrev



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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
SGTUOBURCVMACZ-SEVPPISGSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/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/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19-/m0/s1
SMILES (Click to copy)

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 366.80
Topological Polar Surface Area 70.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.26
Molar Refractivity 98.49

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Created at
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Updated at
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