Structure database (LMSD)

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LM IDLMFA01010021
Common NameHeneicosylic acid
Systematic NameHeneicosanoic acid
SynonymsHenicosanoic acid; C21:0
Exact Mass
326.3185 (neutral)    Calculate m/z:
FormulaC21H42O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0021
PubChem Compound ID (CID)16898
HMDB IDHMDB02345
CHEBI ID39248
PlantFA ID10146
InChIKeyCKDDRHZIAZRDBW-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h
2-20H2,1H3,(H,22,23)
SMILESCCCCCCCCCCCCCCCCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume
386.80Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.50Molar
Refractivity
101.03    
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