Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA00000014
Common NameVirodhamine
Systematic Name2-aminoethyl-5Z,8Z,11Z,14Z-eicosatetraenoate
Synonyms-
Exact Mass
347.2824 (neutral)    Calculate m/z:
FormulaC22H37NO2
CategoryFatty Acyls [FA]
Main ClassOther Fatty Acyls [FA00]
Sub Class-
PubChem Compound ID (CID)5712057
InChIKeyDLHLOYYQQGSXCC-DOFZRALJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-
20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/b7-6-,10-9-,13-12-,16-15
-
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCN
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
404.54Topological Polar
Surface Area
52.32Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.20Molar
Refractivity
109.40    
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