Structure database (LMSD)

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LM IDLMFA01010022
Common NameBehenic acid (W)
Systematic Namedocosanoic acid
SynonymsC22:0
Exact Mass
340.3341 (neutral)    Calculate m/z:
FormulaC22H44O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0022
PubChem CID8215
KEGG IDC08281
HMDB IDHMDB0000944
CHEBI ID28941
PlantFA ID10147
SWISSLIPIDS IDSLM:000000827
CAYMAN ID9000338
InChIKeyUKMSUNONTOPOIO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)2
4/h2-21H2,1H3,(H,23,24)
SMILESC(CCCCCCCCCCCCC(=O)O)CCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
404.10Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.89Molar
Refractivity
105.65