Structure database (LMSD)

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LM IDLMFA00000023
Common Name-
Systematic Name14-chlorotetracosane-1,15-disulfate
Synonyms14-chlorotetracosane-1,15-diyl bis(hydrogen sulfate)
Exact Mass
564.2557 (neutral)    Calculate m/z:
FormulaC24H49ClO8S2
CategoryFatty Acyls [FA]
Main ClassOther Fatty Acyls [FA00]
Sub Class-
PubChem Compound ID (CID)56935796
InChIKeyXKTFVUFBGYNAMG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H49ClO8S2/c1-2-3-4-5-11-15-18-21-24(33-35(29,30)31)23(25)20-17-14-12
-9-7-6-8-10-13-16-19-22-32-34(26,27)28/h23-24H,2-22H2,1H3,(H,26,27,28)(H,29,30,3
1)
SMILESCCCCCCCCCC(OS(O)(=O)=O)C(Cl)CCCCCCCCCCCCCOS(O)(=O)=O
StatusActive
ReferencesNatural halogenated fatty acids: their analogues and derivatives
Valery M Dembitsky and Morris Srebnik
Progress in Lipid Research,41(4), 315-367 (2002)
Calculated physicochemical properties (?):
 Heavy Atoms35Rings0Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
546.31Topological Polar
Surface Area
127.20Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
8
 logP10.78Molar
Refractivity
142.90    
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