Structure database (LMSD)

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LM IDLMFA01010026
Common NameCerotic acid (W)
Systematic Namehexacosanoic acid
SynonymsC26:0; Ceric acid; Ceratinic acid; Cerinic acid; Cerylic acid
Exact Mass
396.3967 (neutral)    Calculate m/z:
FormulaC26H52O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0026
PubChem Compound ID (CID)10469
CHEBI ID31009
PlantFA ID10168
InChIKeyXMHIUKTWLZUKEX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-2
4-25-26(27)28/h2-25H2,1H3,(H,27,28)
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds24
 van der Waals
Molecular Volume
473.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP9.45Molar
Refractivity
124.12    
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