Structure Database (LMSD)

Common Name
LTB4 dimethyl amide
Systematic Name
N,N-dimethyl-5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraen-1-amide
Synonyms
  • Leukotriene B4 dimethyl amide
LM ID
LMFA03020011
Formula
C22H37NO3
Exact Mass
Calculate m/z
363.277344
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Leukotrienes [FA0302]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
BBJRTSLPWQUASB-UKODYPNASA-N
InChi (Click to copy)
InChI=1S/C22H37NO3/c1-4-5-6-7-8-11-15-20(24)16-12-9-10-13-17-21(25)18-14-19-22(26)23(2)3/h8-13,16-17,20-21,24-25H,4-7,14-15,18-19H2,1-3H3/b10-9+,11-8-,16-12+,17-13-/t20-,21-/m1/s1
SMILES (Click to copy)
C([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(N(C)C)=O)/C=C\CCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Inhibition of leukotriene B4-induced neutrophil degranulation by leukotriene B4-dimethylamide.,
Biochem Biophys Res Commun, 1982
Pubmed ID: 6288032

Other Databases

HMDB ID
HMDB0005085
CHEBI ID
165292
LIPIDBANK ID
XPR3113
PubChem CID
5283126
Cayman ID
20115

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 413.33
Topological Polar Surface Area 60.77
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.73
Molar Refractivity 110.90

Admin

Created at
-
Updated at
3rd Jun 2021