BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

MES

Graphical representations:

MES image

Molecular Formula: C6 H13 N O4 S

Natural Isotopic Abundance Mass: 195.23672

Mono-Isotopic Molecular Masses:

  • C12N14: 195.0565286009
  • C13N14: 201.0766576277
  • C12N15: 196.0535634941
  • C13N15: 202.0736925209

InCHi String:

canonical and isomeric SMILES: C1COCCN1CCS(=O)(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
2-morpholin-4-ylethanesulfonic acid

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
2-morpholinoethanesulfonic acid

PUBCHEM iupac CAS NAME
2-(4-morpholinyl)ethanesulfonic acid

PubChem Substance (SID):   113284768   10380057   24896867
PubChem Compound (CID):   78165
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   MES
Miscellaneous Databases and IDs:   MDL MFCD00006181   CAS 4432-31-9   MMCD cq_14284   Sigma-Aldrich M3671_SIGMA   NIST 791959329

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.