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CHEBI:70958 - 1-methylhistidine

ChEBI IDCHEBI:70958
ChEBI Name1-methylhistidine
Stars
DefinitionA methylhistidine in which the methyl group is located at N-1.
Last Modified6 July 2017
Submittermwilliams
DownloadsMolfile
FormulaC7H11N3O2
Net Charge0
Average Mass169.184
Monoisotopic Mass169.08513
SMILESCn1cnc(CC(N)C(=O)O)c1
InChIInChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)
InChIKeyBRMWTNUJHUMWMS-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
1-methylhistidine (CHEBI:70958) has role human urinary metabolite (CHEBI:84087)
1-methylhistidine (CHEBI:70958) is a methylhistidine (CHEBI:137682)
1-methylhistidine (CHEBI:70958) is a non-proteinogenic α-amino acid (CHEBI:83925)
1-methylhistidine (CHEBI:70958) is tautomer of 1-methylhistidine zwitterion (CHEBI:133608)
Incoming Relation(s)
1-methylhistidine zwitterion (CHEBI:133608) is tautomer of 1-methylhistidine (CHEBI:70958)
IUPAC Names 
1-methylhistidine
2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid
Synonym  Source
1-methyl-DL-histidineChEBI
Registry NumbersSources
Reaxys:611190Reaxys
Citations