Structure Database (LMSD)

Common Name
5,6-Ep-15S-HETE
Systematic Name
5S,6S-epoxy-15S-hydroxy-7E,9E,11Z,13E-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060075
Status
Active
Exact Mass
Calculate m/z
334.21441
Formula
Abbrev


Download as...
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)
YNHSGCYEQVDEOY-UZDWIPAXSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18-19(24-18)15-11-16-20(22)23/h4-7,9-10,13-14,17-19,21H,2-3,8,11-12,15-16H2,1H3,(H,22,23)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19-/m0/s1
SMILES (Click to copy)
C(/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)O)=C/C=C/[C@@H](O)CCCCC

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
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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Updated at
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