Structure Database (LMSD)
Common Name
5S,6S-epoxy-18R-HEPE
Systematic Name
5S,6S-epoxy,18R-hydroxy-7E,9E,11Z,14Z,16E-eicosapentaenoic acid
Synonyms
LM ID
LMFA03070026
Formula
Exact Mass
Calculate m/z
332.19876
Sum Composition
Status
Active
3D model of 5S,6S-epoxy-18R-HEPE
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)
ZPAJZAMPZXISSE-SIPVSCHGSA-N
InChi (Click to copy)
InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18+,19+/m1/s1
SMILES (Click to copy)
[C@H]1(O[C@H]1CCCC(=O)O)/C=C/C=C/C=C\C/C=C\C=C\[C@H](O)CC
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
361.52
Topological Polar Surface Area
70.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.81
Molar Refractivity
98.30
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Created at
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Updated at
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