Structure database (LMSD)

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LM IDLMFA01170038
Common NameTricosanedioic acid
Systematic NameTricosanedioic acid
Synonyms-
Exact Mass
384.3240 (neutral)    Calculate m/z:
FormulaC23H44O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID6546
PubChem CID9543669
PlantFA ID10561
InChIKeyQJXPRGZXRIIGOP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H44O4/c24-22(25)20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-2
1-23(26)27/h1-21H2,(H,24,25)(H,26,27)
SMILESC(CCCCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds22
 van der Waals
Molecular Volume
436.34Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP7.35Molar
Refractivity
112.23