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CHEBI:67249 - N-acetylcarnosine

ChEBI IDCHEBI:67249
ChEBI NameN-acetylcarnosine
Stars
ASCII NameN-acetylcarnosine
DefinitionA dipeptide that is the N-acetyl derivative of carnosine.
Last Modified22 October 2012
Submittermwilliams
DownloadsMolfile
FormulaC11H16N4O4
Net Charge0
Average Mass268.273
Monoisotopic Mass268.11715
SMILESCC(=O)NCCC(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m0/s1
InChIKeyBKAYIFDRRZZKNF-VIFPVBQESA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-acetylcarnosine (CHEBI:67249) has functional parent carnosine (CHEBI:15727)
N-acetylcarnosine (CHEBI:67249) has role metabolite (CHEBI:25212)
N-acetylcarnosine (CHEBI:67249) is a dipeptide (CHEBI:46761)
IUPAC Names 
N-acetyl-β-alanyl-L-histidine
(2S)-2-{[3-(acetylamino)propanoyl]amino}-3-(1H-imidazol-5-yl)propanoic acid
Synonym  Source
N-acetyl-L-carnosineChEBI
Manual XrefsDatabases
AcetylcarnosineWikipedia
Registry NumbersSources
Reaxys:10454928Reaxys
CAS:56353-15-2ChemIDplus
Citations