MES

2-(N-MORPHOLINO)-ETHANESULFONIC ACID

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

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count25
Aromatic Bond Count0
2D diagram of MES
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Chemical Component Summary

Name2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Systematic Name (OpenEye OEToolkits)2-morpholin-4-ium-4-ylethanesulfonate
FormulaC6 H13 N O4 S
Molecular Weight195.237
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-]S(=O)(=O)CC[NH+]1CCOCC1
SMILESCACTVS3.341[O-][S](=O)(=O)CC[NH+]1CCOCC1
SMILESOpenEye OEToolkits1.5.0C1COCC[NH+]1CCS(=O)(=O)[O-]
Canonical SMILESCACTVS3.341 [O-][S](=O)(=O)CC[NH+]1CCOCC1
Canonical SMILESOpenEye OEToolkits1.5.0 C1COCC[NH+]1CCS(=O)(=O)[O-]
InChIInChI1.03 InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
InChIKeyInChI1.03 SXGZJKUKBWWHRA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03814 
Name2-(N-morpholino)ethanesulfonic acid
Groups experimental
Synonyms
  • 2-(4-morpholinyl)ethanesulfonic acid
  • 2-(morpholin-4-yl)ethanesulfonic acid
  • 2-(N-morpholino)ethanesulfonic acid
  • 4-morpholinethanesulfonic acid
  • MES
Categories
  • Alkanes
  • Buffers
  • Cholinesterase Inhibitors
  • Hydrocarbons, Acyclic
  • Oxazines
CAS number4432-31-9

Drug Targets

NameTarget SequencePharmacological ActionActions
11-beta-hydroxysteroid dehydrogenase 1MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREM...unknowninhibitor
Peptide deformylase, mitochondrialMARLWGALSLWPLWAAVPWGGAAAVGVRACSSTAAPDGVEGPALRRSYWR...unknowninhibitor
Beta-lactamaseMKKLIFLIVIALVLSACNSNSSHAKELNDLEKKYNAHIGVYALDTKSGKE...unknowninhibitor
AcetylcholinesteraseMRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRG...unknowninhibitor
Glutamine--fructose-6-phosphate aminotransferase [isomerizing]MCGIVGAIAQRDVAEILLEGLRRLEYRGYDSAGLAVVDAEGHMTRLRRLG...unknowninhibitor
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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 4478249, 78165
ChEMBL CHEMBL1234276
ChEBI CHEBI:39005, CHEBI:39408
CCDC/CSD YAMXUG