Structure database (LMSD)

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LM IDLMFA01170040
Common NameHexacosanedioic acid
Systematic NameHexacosanedioic acid
Synonyms-
Exact Mass
426.3709 (neutral)    Calculate m/z:
FormulaC26H50O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID4251
PubChem CID9543670
SWISSLIPIDS IDSLM:000389362
InChIKeyJJWZFUFNJNGKAF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H50O4/c27-25(28)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-1
8-20-22-24-26(29)30/h1-24H2,(H,27,28)(H,29,30)
SMILESC(CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings0Aromatic Rings0Rotatable Bonds25
 van der Waals
Molecular Volume
488.24Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP8.52Molar
Refractivity
126.08