ESA

ETHANESULFONIC ACID

Created:	2000-07-18
Last modified:	2011-06-04

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4 entries where ESA is found as a standalone ligand1 entries where ESA is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	12
Chiral Atom Count	0
Bond Count	11
Aromatic Bond Count	0

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Chemical Component Summary
Name	ETHANESULFONIC ACID
Systematic Name (OpenEye OEToolkits)	ethanesulfonic acid
Formula	C₂ H₆ O₃ S
Molecular Weight	110.132
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(O)CC
SMILES	CACTVS	3.341	CC[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCS(=O)(=O)O
Canonical SMILES	CACTVS	3.341	CC[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCS(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKey	InChI	1.03	CCIVGXIOQKPBKL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB03635
Name	Ethanesulfonic acid
Groups	experimental
Synonyms	Ethylsulfonic acid Ethanesulphonic acid 2-ethanesulfonic acid Ethanesulfonic acid Ethane sulphonic acid 1-ethanesulfonic acid Ethylsulphonic acid
Categories	Alkanes Alkanesulfonic Acids Hydrocarbons, Acyclic Sulfonic Acids Sulfur Acids Sulfur Compounds
CAS number	594-45-6

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Platelet basic protein	MSLRLDTTPSCNSARPLHALQVLLLLSLLLTALASSTKGQTKRNLAKGKE...	unknown
Phosphonoacetaldehyde hydrolase	MKIEAVIFDWAGTTVDYGCFAPLEVFMEIFHKRGVAITAEEARKPMGLLK...	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