EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:58064 - taurocyamine zwitterion

ChEBI IDCHEBI:58064
ChEBI Nametaurocyamine zwitterion
Stars
DefinitionZwitterionic form of taurocyamine arising from transfer of a proton from the sulfo to the guanidino group; major species at pH 7.3.
Last Modified23 October 2015
DownloadsMolfile
FormulaC3H9N3O3S
Net Charge0
Average Mass167.190
Monoisotopic Mass167.03646
SMILESNC(=[NH2+])NCCS(=O)(=O)[O-]
InChIInChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
InChIKeyJKLRIMRKZBSSED-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
taurocyamine zwitterion (CHEBI:58064) is a zwitterion (CHEBI:27369)
taurocyamine zwitterion (CHEBI:58064) is tautomer of taurocyamine (CHEBI:17228)
Incoming Relation(s)
taurocyamine (CHEBI:17228) is tautomer of taurocyamine zwitterion (CHEBI:58064)
IUPAC Name 
2-{[amino(iminio)methyl]amino}ethanesulfonate
UniProt Name  Source
taurocyamineUniProt