Structure Database (LMSD)

Common Name
18-hydroxy-18-oxo-dinorleukotriene B4
Systematic Name
(4Z,7R,8E,10E,12Z,14S)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid
Synonyms
  • 18-COOH dinor LTB4
  • 18-Carboxy-19,20-dinorleukotriene B4
  • 18-Cooh-19,20-ltb4
  • 18-carboxy dinor LTB4
  • 18-carboxy-dinorleukotriene B4
  • 18-hydroxy-18-oxo-19,20-dinorleukotriene B4
LM ID
LMFA01170145
Formula
C18H26O6
Exact Mass
Calculate m/z
338.17294
Sum Composition
FA 18:5;O4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Eicosanoids [FA03]
Leukotrienes [FA0302]

String Representations

InChiKey (Click to copy)
XWRIIHRGMKHPHN-USRRKILKSA-N
InChi (Click to copy)
InChI=1S/C18H26O6/c19-15(11-6-3-7-13-17(21)22)9-4-1-2-5-10-16(20)12-8-14-18(23)24/h1-6,9-10,15-16,19-20H,7-8,11-14H2,(H,21,22)(H,23,24)/b2-1+,6-3-,9-4+,10-5-/t15-,16+/m0/s1
SMILES (Click to copy)
C(/C=C\CCC(O)=O)[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Metabolism of leukotriene B4 in isolated rat hepatocytes. Involvement of 2,4-dienoyl-coenzyme A reductase in leukotriene B4 metabolism.,
J Biol Chem, 1990
Pubmed ID: 2168887

Other Databases

CHEBI ID
63980
PubChem CID
6438938
Cayman ID
20170

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 356.86
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.02
Molar Refractivity 92.57

Admin

Created at
-
Updated at
29th Mar 2023