Structure Database (LMSD)

Common Name
Resolvin T1
Systematic Name
7,13,20-Trihydroxy-8E,10Z,14E,16Z,18E-docosapentaenoic acid
Synonyms
  • RvT1
LM ID
LMFA04000091
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]

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)
GGPSRSCVYRYOSY-PJPPRHTRSA-N
InChi (Click to copy)
InChI=1S/C22H34O5/c1-2-19(23)13-7-3-4-8-14-20(24)15-9-5-10-16-21(25)17-11-6-12-18-22(26)27/h3-5,7-10,13-14,16,19-21,23-25H,2,6,11-12,15,17-18H2,1H3,(H,26,27)/b4-3-,9-5-,13-7+,14-8+,16-10+
SMILES (Click to copy)
C(CCCCCC(O)/C=C/C=C\CC(O)/C=C/C=C\C=C\C(O)CC)(=O)O

Other Databases

CHEBI ID
137011
PubChem CID
124202379

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