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CHEBI:57485 - carnosine zwitterion

ChEBI IDCHEBI:57485
ChEBI Namecarnosine zwitterion
Stars
DefinitionZwitterionic form of carnosine.
Last Modified10 June 2021
DownloadsMolfile
FormulaC9H14N4O3
Net Charge0
Average Mass226.236
Monoisotopic Mass226.10659
SMILES[NH3+]CCC(=O)N[C@@H](Cc1cncn1)C(=O)[O-]
InChIInChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyCQOVPNPJLQNMDC-ZETCQYMHSA-N
ChEBI Ontology
Outgoing Relation(s)
carnosine zwitterion (CHEBI:57485) is a amino-acid zwitterion (CHEBI:35238)
carnosine zwitterion (CHEBI:57485) is conjugate acid of carnosinate (CHEBI:66874)
carnosine zwitterion (CHEBI:57485) is tautomer of carnosine (CHEBI:15727)
Incoming Relation(s)
carnosinate (CHEBI:66874) is conjugate base of carnosine zwitterion (CHEBI:57485)
carnosine (CHEBI:15727) is tautomer of carnosine zwitterion (CHEBI:57485)
IUPAC Name 
Nα-(β-alaniniumyl)-L-histidinate
Synonym  Source
(2S)-2-[(3-azaniumylpropanoyl)amino]-3-(1H-imidazol-4-yl)propanoateChEBI
UniProt Name  Source
carnosineUniProt
Manual XrefsDatabases
CARNOSINEMetaCyc
Registry NumbersSources
Gmelin:397437Gmelin