Structure database (LMSD)

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LM IDLMFA03020011
Common NameLTB4 dimethyl amide
Systematic NameN,N-dimethyl-5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraen-1-amide
SynonymsLeukotriene B4 dimethyl amide
Exact Mass
363.2773 (neutral)    Calculate m/z:
FormulaC22H37NO3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
LIPIDBANK IDXPR3113
PubChem CID5283126
HMDB IDHMDB0005085
CAYMAN ID20115
InChIKeyBBJRTSLPWQUASB-UKODYPNASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H37NO3/c1-4-5-6-7-8-11-15-20(24)16-12-9-10-13-17-21(25)18-14-19-22(2
6)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
SMILESC([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(N(C)C)=O)/C=C\CCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
413.33Topological Polar
Surface Area
60.77Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.73Molar
Refractivity
110.90