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CHEBI:66874 - carnosinate

ChEBI IDCHEBI:66874
ChEBI Namecarnosinate
Stars
DefinitionAn N-acyl-L-α-amino acid anion that is the conjugate base of carnosine, obtained by deprotonation of the carboxy group.
Last Modified31 July 2012
SubmitterSteve
DownloadsMolfile
FormulaC9H13N4O3
Net Charge-1
Average Mass225.228
Monoisotopic Mass225.09931
SMILESNCCC(=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)/p-1/t7-/m0/s1
InChIKeyCQOVPNPJLQNMDC-ZETCQYMHSA-M
ChEBI Ontology
Outgoing Relation(s)
carnosinate (CHEBI:66874) is a N-acyl-L-α-amino acid anion (CHEBI:59874)
carnosinate (CHEBI:66874) is conjugate base of carnosine (CHEBI:15727)
carnosinate (CHEBI:66874) is conjugate base of carnosine zwitterion (CHEBI:57485)
Incoming Relation(s)
carnosine (CHEBI:15727) is conjugate acid of carnosinate (CHEBI:66874)
carnosine zwitterion (CHEBI:57485) is conjugate acid of carnosinate (CHEBI:66874)
IUPAC Name 
(2S)-2-(β-alanylamino)-3-(1H-imidazol-4-yl)propanoate
Synonyms  Source
carnosinate(1−)ChEBI
carnosinate anionChEBI
Nα-(β-alanyl)-L-histidinateChEBI
Registry NumbersSources
Reaxys:6337985Reaxys