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
C22H34O5
Exact Mass
Calculate m/z
378.240625
Sum Composition
FA 22:5;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Other Docosanoids [FA0400]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

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
Pubmed ID: 26236990

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

Other Databases

CHEBI ID
137018
PubChem CID
124202381

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