Structure database (LMSD)

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LM IDLMFA01010027
Common NameCarboceric acid
Systematic Nameheptacosanoic acid
SynonymsC27:0
Exact Mass
410.4124 (neutral)    Calculate m/z:
FormulaC27H54O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0027
PubChem CID23524
HMDB IDHMDB0002063
PlantFA ID10173
SWISSLIPIDS IDSLM:000000980
InChIKeyVXZBFBRLRNDJCS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-2
4-25-26-27(28)29/h2-26H2,1H3,(H,28,29)
SMILESC(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings0Aromatic Rings0Rotatable Bonds25
 van der Waals
Molecular Volume
490.60Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP9.84Molar
Refractivity
128.73