CHEBI:67249 - N-acetylcarnosine

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ChEBI Name N-acetylcarnosine
ChEBI ID CHEBI:67249
ChEBI ASCII Name N-acetylcarnosine
Definition A dipeptide that is the N-acetyl derivative of carnosine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H16N4O4
Net Charge 0
Average Mass 268.26910
Monoisotopic Mass 268.11716
InChI InChI=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
InChIKey BKAYIFDRRZZKNF-VIFPVBQESA-N
SMILES CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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
(2S)-2-{[3-(acetylamino)propanoyl]amino}-3-(1H-imidazol-5-yl)propanoic acid
N-acetyl-β-alanyl-L-histidine
Synonym Source
N-acetyl-L-carnosine ChEBI
Manual Xref Database
Acetylcarnosine Wikipedia
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Registry Numbers Types Sources
10454928 Reaxys Registry Number Reaxys
56353-15-2 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
22 October 2012