Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01090016
Common Name6-bromo-5,9-hexacosadienoic acid
Systematic Name6-bromo-5,9-hexacosadienoic acid
Synonyms-
Exact Mass
470.2759 (neutral)    Calculate m/z:
FormulaC26H47BrO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
Alternative ClassesUnsaturated fatty acids[FA0103]
LIPIDAT ID2398
PubChem CID5312949
InChIKeyIIPLCJVYXLOVIW-XHFMNYCASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C26H47BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(27)23-20-21-24-26(28)29/h17-18,23H,2-16,19-22,24H2,1H3,(H,28,29)/b18-17+,25-23-
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SMILES
C(CCC/C=C(\Br)/CC/C=C/CCCCCCCCCCCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings0Aromatic Rings0Rotatable Bonds22
 van der Waals
Molecular Volume		487.30Topological Polar
Surface Area		37.30Hydrogen
Bond Donors		1Hydrogen
Bond Acceptors		2
 logP9.73Molar
Refractivity		131.80