Structure Database (LMSD)
Common Name
20-hydroxy-Resolvin E1
Systematic Name
5S,12R,18S,20-tetrahydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid
Synonyms
- 20-hydroxy-RvE1
LM ID
LMFA03140008
Formula
Exact Mass
Calculate m/z
366.20424
Sum Composition
Status
Active
3D model of 20-hydroxy-Resolvin E1
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)
JTGJRDREFMAMJA-MPPNEBGGSA-N
InChi (Click to copy)
InChI=1S/C20H30O6/c21-16-15-19(24)12-7-3-6-11-17(22)9-4-1-2-5-10-18(23)13-8-14-20(25)26/h1-7,9-10,12,17-19,21-24H,8,11,13-16H2,(H,25,26)/b2-1+,6-3-,9-4+,10-5-,12-7+/t17-,18+,19+/m0/s1
SMILES (Click to copy)
C(CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\C=C\[C@@H](O)CCO)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
391.46
Topological Polar Surface Area
118.22
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
6
logP
3.02
Molar Refractivity
103.55
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Created at
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Updated at
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