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CHEBI:133609 - 3-methylhistidine zwitterion

ChEBI IDCHEBI:133609
ChEBI Name3-methylhistidine zwitterion
Stars
DefinitionAn α-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-methylhistidine; major species at pH 7.3.
Last Modified12 October 2016
Submitterjjtluanloet
DownloadsMolfile
FormulaC7H11N3O2
Net Charge0
Average Mass169.184
Monoisotopic Mass169.08513
SMILESCn1cncc1CC([NH3+])C(=O)[O-]
InChIInChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)
InChIKeyJDHILDINMRGULE-UHFFFAOYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-methylhistidine zwitterion (CHEBI:133609) has role human metabolite (CHEBI:77746)
3-methylhistidine zwitterion (CHEBI:133609) is a α-amino-acid zwitterion (CHEBI:78608)
3-methylhistidine zwitterion (CHEBI:133609) is tautomer of 3-methylhistidine (CHEBI:70959)
Incoming Relation(s)
3-methylhistidine (CHEBI:70959) is tautomer of 3-methylhistidine zwitterion (CHEBI:133609)
IUPAC Name 
2-azaniumyl-3-(1-methyl-1H-imidazol-5-yl)propanoate