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CHEBI:57947 - creatine zwitterion

ChEBI IDCHEBI:57947
ChEBI Namecreatine zwitterion
Stars
DefinitionZwitterionic form of creatine arising from transfer of a proton from the carboxy to the guanidino group; major species at pH 7.3.
Last Modified2 April 2019
DownloadsMolfile
FormulaC4H9N3O2
Net Charge0
Average Mass131.135
Monoisotopic Mass131.06948
SMILESCN(CC(=O)[O-])C(N)=[NH2+]
InChIInChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
InChIKeyCVSVTCORWBXHQV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
creatine zwitterion (CHEBI:57947) is a zwitterion (CHEBI:27369)
creatine zwitterion (CHEBI:57947) is conjugate acid of creatinate (CHEBI:66924)
creatine zwitterion (CHEBI:57947) is tautomer of creatine (CHEBI:16919)
Incoming Relation(s)
creatinate (CHEBI:66924) is conjugate base of creatine zwitterion (CHEBI:57947)
creatine (CHEBI:16919) is tautomer of creatine zwitterion (CHEBI:57947)
IUPAC Name 
{[amino(iminio)methyl](methyl)amino}acetate
UniProt Name  Source
creatineUniProt
Manual XrefsDatabases
CREATINEMetaCyc