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
Classification
References
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
Other Databases
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