Structure database (LMSD)

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LM IDLMFA01020019
Common NameIsobehenic acid
Systematic Name20-methyl-heneicosanoic acid
Synonyms20-methyl-henicosanoic acid
Exact Mass
340.3341 (neutral)    Calculate m/z:
FormulaC22H44O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0244
PubChem CID5282603
InChIKeyHJVKLVGLKNGYGQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H44O2/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(23)2
4/h21H,3-20H2,1-2H3,(H,23,24)
SMILESC(CCCCCCCCCCCCC(=O)O)CCCCCC(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume
404.10Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.75Molar
Refractivity
105.58