Structure Database (LMSD)
Common Name
18S-Resolvin E3
Systematic Name
17R,18S-dihydroxy-5Z,8Z,11Z,13E,15E-eicosapentaenoic acid
Synonyms
- 18S-RvE3
- 17,18-diHEPE
- 17R,18S-diHEPE
LM ID
LMFA03140007
Formula
Exact Mass
Calculate m/z
334.21441
Sum Composition
Status
Active
3D model of 18S-Resolvin E3
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)
WYCMUVNNXSREQB-BBJRFLMCSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-12,14,16,18-19,21-22H,2,4,7,13,15,17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,12-10+,16-14+/t18-,19+/m0/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
373.88
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.51
Molar Refractivity
99.75
Admin
Created at
-
Updated at
18th Jul 2021