Structure Database (LMSD)

Common Name
Resolvin T4
Systematic Name
7,13-Dihydroxy-8E,10Z,14E,16Z,19Z-docosapentaenoic acid
Synonyms
  • RvT4
LM ID
LMFA04000094
Formula
C22H34O4
Exact Mass
Calculate m/z
362.24571
Sum Composition
FA 22:5;O2
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)
BCWQNTXSYCKTHB-QIDYMIIRSA-N
InChi (Click to copy)
InChI=1S/C22H34O4/c1-2-3-4-5-6-7-10-15-20(23)16-11-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-8,10-12,15,17,20-21,23-24H,2,5,9,13-14,16,18-19H2,1H3,(H,25,26)/b4-3-,7-6-,11-8-,15-10+,17-12+
SMILES (Click to copy)
C(CCCCCC(O)/C=C/C=C\CC(O)/C=C/C=C\C/C=C\CC)(=O)O

Other Databases

CHEBI ID
137020
PubChem CID
124202385

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 408.48
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.29
Molar Refractivity 108.98

Admin

Created at
27th Apr 2020
Updated at
27th Apr 2020