CHEBI:70958 - 1-methylhistidine

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ChEBI Name 1-methylhistidine ChEBI ID CHEBI:70958 Definition A methylhistidine in which the methyl group is located at N-1. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H11N3O2 Net Charge 0 Average Mass 169.18110 Monoisotopic Mass 169.08513 InChI InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12) InChIKey BRMWTNUJHUMWMS-UHFFFAOYSA-N SMILES Cn1cnc(CC(N)C(O)=O)c1 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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-histidine ChEBI Registry Number Type Source 611190 Reaxys Registry Number Reaxys Citation Type Source 22770225 PubMed citation Europe PMC Last Modified 06 July 2017