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CHEBI:16437 - N-acetyl-L-histidine

ChEBI IDCHEBI:16437
ChEBI NameN-acetyl-L-histidine
Stars
ASCII NameN-acetyl-L-histidine
DefinitionA histidine derivative that is L-histidine having an acetyl substituent on the α-nitrogen.
Secondary ChEBI IDsCHEBI:7153, CHEBI:12462, CHEBI:21554
Last Modified9 October 2019
DownloadsMolfile
FormulaC8H11N3O3
Net Charge0
Average Mass197.194
Monoisotopic Mass197.08004
SMILESCC(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyKBOJOGQFRVVWBH-ZETCQYMHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-L-histidine (CHEBI:16437) has role animal metabolite (CHEBI:75767)
N-acetyl-L-histidine (CHEBI:16437) is a N-acetyl-L-amino acid (CHEBI:21545)
N-acetyl-L-histidine (CHEBI:16437) is a N-acetylhistidine (CHEBI:86910)
N-acetyl-L-histidine (CHEBI:16437) is a L-histidine derivative (CHEBI:84076)
N-acetyl-L-histidine (CHEBI:16437) is conjugate acid of N-acetyl-L-histidinate (CHEBI:57772)
Incoming Relation(s)
N-acetyl-L-histidinate (CHEBI:57772) is conjugate base of N-acetyl-L-histidine (CHEBI:16437)
IUPAC Name 
N2-acetyl-L-histidine
Synonyms  Source
N-Acetyl-L-histidineKEGG COMPOUND
N-AcetylhistidineChemIDplus
N-Hydroxy-aabpChemIDplus
N-α-L-histidineChEBI
N-acetyl histidineChEBI
Manual XrefsDatabases
C02997KEGG COMPOUND
HMDB0032055HMDB
CPD-424MetaCyc
Registry NumbersSources
Reaxys:748618Reaxys
CAS:2497-02-1KEGG COMPOUND
CAS:2497-02-1ChemIDplus
Citations