Structure database (LMSD)

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LM IDLMFA03020012
Common NameLTB4 ethanol amide
Systematic NameN-(2-hydroxyethyl)-5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraen-1-amide
SynonymsLeukotriene B4 ethanol amide
Exact Mass
379.2723 (neutral)    Calculate m/z:
FormulaC22H37NO4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
LIPIDBANK IDXPR3114
PubChem CID5283127
HMDB IDHMDB0002304
CAYMAN ID20112
InChIKeyDQLVVNIINUTUIU-XLFGVTECSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H37NO4/c1-2-3-4-5-6-9-13-20(25)14-10-7-8-11-15-21(26)16-12-17-22(27)
23-18-19-24/h6-11,14-15,20-21,24-26H,2-5,12-13,16-19H2,1H3,(H,23,27)/b8-7+,9-6-,
14-10+,15-11-/t20-,21-/m1/s1
SMILESC([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(NCCO)=O)/C=C\CCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
422.12Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP4.32Molar
Refractivity
113.28