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CHEBI:133608 - 1-methylhistidine zwitterion

ChEBI IDCHEBI:133608
ChEBI Name1-methylhistidine zwitterion
Stars
DefinitionAn α-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 1-methylhistidine; major species at pH 7.3.
Last Modified12 October 2016
Submitterjjtluanloet
DownloadsMolfile
FormulaC7H11N3O2
Net Charge0
Average Mass169.184
Monoisotopic Mass169.08513
SMILESCn1cnc(CC([NH3+])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
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
1-methylhistidine zwitterion (CHEBI:133608) has role human urinary metabolite (CHEBI:84087)
1-methylhistidine zwitterion (CHEBI:133608) is a α-amino-acid zwitterion (CHEBI:78608)
1-methylhistidine zwitterion (CHEBI:133608) is tautomer of 1-methylhistidine (CHEBI:70958)
Incoming Relation(s)
1-methylhistidine (CHEBI:70958) is tautomer of 1-methylhistidine zwitterion (CHEBI:133608)
IUPAC Name 
2-azaniumyl-3-(1-methyl-1H-imidazol-4-yl)propanoate