Structure database (LMSD)

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LM IDLMFA01030095
Common NameXimenic acid
Systematic Name17Z-hexacosenoic acid
Synonymscis-17-hexacosenoic acid; C26:1n-9
Exact Mass
394.3811 (neutral)    Calculate m/z:
FormulaC26H50O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0134
PubChem CID5282775
HMDB IDHMDB0062452
PlantFA ID10172
SWISSLIPIDS IDSLM:000001213
InChIKeyRQIDQEBURXNDKG-KTKRTIGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H50O2/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/h9-10H,2-8,11-25H2,1H3,(H,27,28)/b10-9-
SMILESC(CCCCCCCCCCCCC(=O)O)CC/C=C\CCCCCCCC
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
470.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP9.23Molar
Refractivity
124.02