Structure database (LMSD)

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LM IDLMFA01020023
Common NameIsopentacosanoic acid
Systematic Name23-methyl-tetracosanoic acid
Synonyms-
Exact Mass
382.3811 (neutral)    Calculate m/z:
FormulaC25H50O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA0248
PubChem CID5282607
InChIKeyMLLNAEIUHLSUPB-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H50O2/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-2
3-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)
SMILESC(CCCCCCCCCCCCC(=O)O)CCCCCCCCC(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds22
 van der Waals
Molecular Volume
456.00Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP8.92Molar
Refractivity
119.43