Structure Database (LMSD)

O O S O O OH S O O OH Cl
Common Name
14-chlorotetracosane-1,15-disulfate
Systematic Name
14-chlorotetracosane-1,15-disulfate
Synonyms
  • 14-chlorotetracosane-1,15-diyl bis(hydrogen sulfate)
LM ID
LMFA00000023
Formula
C24H49ClO8S2
Exact Mass
Calculate m/z
564.255742
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Other Fatty Acyls [FA00]
Fatty Acids and Conjugates [FA01]
Halogenated fatty acids [FA0109]

String Representations

InChiKey (Click to copy)
XKTFVUFBGYNAMG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=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,29,30,31)
SMILES (Click to copy)
C(CCC)CCCCCC(OS(O)(=O)=O)C(Cl)CCCCCCCCCCCCCOS(O)(=O)=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Chlorophyceae (#3166)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814

Other Databases

PubChem CID
56935796

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 546.31
Topological Polar Surface Area 127.20
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 10.78
Molar Refractivity 142.90

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Created at
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Updated at
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