Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03020016
Common Name20-carboxy-LTB4
Systematic Name5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraene-1,20-dioic acid
Synonyms20-carboxy-Leukotriene B4
Exact Mass
366.2042 (neutral)    Calculate m/z:
FormulaC20H30O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
LIPIDBANK IDXPR3118
PubChem CID5280877
KEGG IDC05950
HMDB IDHMDB0006059
CHEBI ID27562
SWISSLIPIDS IDSLM:000501203
CAYMAN ID20180
InChIKeySXWGPVJGNOLNHT-VFLUTPEKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-2
0(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-
,12-7+,13-8-/t17-,18-/m1/s1
SMILESC([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O)/C=C\CCCCC(=O)O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
391.46Topological Polar
Surface Area
115.06Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP3.80Molar
Refractivity
101.81