HDS

1-HEXADECANOSULFONIC ACID

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count0
Bond Count53
Aromatic Bond Count0
2D diagram of HDS
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Chemical Component Summary

Name1-HEXADECANOSULFONIC ACID
Systematic Name (OpenEye OEToolkits)hexadecane-1-sulfonic acid
FormulaC16 H34 O3 S
Molecular Weight306.504
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=S(=O)(O)CCCCCCCCCCCCCCCC
SMILESCACTVS3.341CCCCCCCCCCCCCCCC[S](O)(=O)=O
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCCCS(=O)(=O)O
Canonical SMILESCACTVS3.341 CCCCCCCCCCCCCCCC[S](O)(=O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCCCCCCS(=O)(=O)O
InChIInChI1.03 InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)
InChIKeyInChI1.03 SSILHZFTFWOUJR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02776 
Name1-Hexadecanosulfonic Acid
Groups experimental
Synonyms1-Hexadecanosulfonic Acid
CAS number15015-81-3

Drug Targets

NameTarget SequencePharmacological ActionActions
Lipase 1MELALALSLIASVAAAPTATLANGDTITGLNAIINEAFLGIPFAEPPVGN...unknown
HydrolaseMPLDPVIQQVLDQLNRMPAPDYKHLSAQQFRSQQSLFPPVKKEPVAEVRE...unknown
Fatty acid-binding protein, adipocyteMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVI...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 14253
ChEMBL CHEMBL1208309
ChEBI CHEBI:43043