EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133181 - N-acetyl-1-methyl-L-histidine

ChEBI IDCHEBI:133181
ChEBI NameN-acetyl-1-methyl-L-histidine
Stars
ASCII NameN-acetyl-1-methyl-L-histidine
DefinitionAn N-acetyl-L-amino acid that is N-acetyl-L-histidine in which the hydrogen attached to position 1 on the imidazole ring has been replaced by a methyl group.
Last Modified26 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC9H13N3O3
Net Charge0
Average Mass211.221
Monoisotopic Mass211.09569
SMILESCC(=O)N[C@@H](Cc1cn(C)cn1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-6(13)11-8(9(14)15)3-7-4-12(2)5-10-7/h4-5,8H,3H2,1-2H3,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKeyGVRCKHXHWSYDEF-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (24625756)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-1-methyl-L-histidine (CHEBI:133181) has role human blood serum metabolite (CHEBI:85234)
N-acetyl-1-methyl-L-histidine (CHEBI:133181) is a N-acetyl-L-amino acid (CHEBI:21545)
N-acetyl-1-methyl-L-histidine (CHEBI:133181) is a L-histidine derivative (CHEBI:84076)
N-acetyl-1-methyl-L-histidine (CHEBI:133181) is conjugate acid of N-acetyl-1-methyl-L-histidinate (CHEBI:133182)
Incoming Relation(s)
N-acetyl-1-methyl-L-histidinate (CHEBI:133182) is conjugate base of N-acetyl-1-methyl-L-histidine (CHEBI:133181)
IUPAC Name 
N-acetyl-1-methyl-L-histidine
Synonym  Source
N-acetyl-1-methylhistidineChEBI
Registry NumbersSources
Reaxys:8315946Reaxys
Citations