Structure database (LMSD)

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LM IDLMFA01020018
Common NameMethylarachidic acid
Systematic Name(+)-18-methyl-eicosanoic acid
Synonyms(+)-18-methyl-icosanoic acid
Exact Mass
326.3185 (neutral)    Calculate m/z:
FormulaC21H42O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0243
PubChem CID5282602
PlantFA ID10821
CAYMAN ID11009
InChIKeyWSRCOZWDQPJAQT-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H42O2/c1-3-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21(22)23/h
20H,3-19H2,1-2H3,(H,22,23)
SMILESC(CCCCCCCC(C)CC)CCCCCCCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
386.80Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.36Molar
Refractivity
100.96