Structure Database (LMSD)
Common Name
Resolvin T3
Systematic Name
7,12,13-Trihydroxy-8Z,10E,14E,16Z,19Z-docosapentaenoic acid
Synonyms
- RvT3
LM ID
LMFA04000093
Formula
Exact Mass
Calculate m/z
378.240625
Sum Composition
Status
Active
3D model of Resolvin T3
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)
XFIHWRRFJFILNC-FFAJSMOKSA-N
InChi (Click to copy)
InChI=1S/C22H34O5/c1-2-3-4-5-6-7-10-16-20(24)21(25)17-13-12-15-19(23)14-9-8-11-18-22(26)27/h3-4,6-7,10,12-13,15-17,19-21,23-25H,2,5,8-9,11,14,18H2,1H3,(H,26,27)/b4-3-,7-6-,15-12-,16-10+,17-13+
SMILES (Click to copy)
C(CCCCCC(O)/C=C\C=C\C(O)C(O)/C=C/C=C\C/C=C\CC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Elucidation of novel 13-series resolvins that increase with atorvastatin and clear infections.,
Nat Med, 2015
Nat Med, 2015
Pubmed ID:
26236990
DOI:
10.1038/nm.3911
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
417.27
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
4.54
Molar Refractivity
110.89
Admin
Created at
27th Apr 2020
Updated at
4th May 2020