Structure database (LMSD)

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LM IDLMFA01030093
Common Nametrans-selacholeic acid
Systematic Name15E-tetracosenoic acid
Synonymstrans-15-tetracosenoic acid; C24:1n-9
Exact Mass
366.3498 (neutral)    Calculate m/z:
FormulaC24H46O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0132
PubChem CID5282773
InChIKeyGWHCXVQVJPWHRF-MDZDMXLPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H46O2/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/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9+
SMILESC(CCCCCCCCCCC(=O)O)CC/C=C/CCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds21
 van der Waals
Molecular Volume
436.06Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP8.45Molar
Refractivity
114.79