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
Formula
Exact Mass
Calculate m/z
334.21441
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 5,6-Ep-15S-HETE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
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
Admin
Created at
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Updated at
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