CHEBI:133609 - 3-methylhistidine zwitterion

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ChEBI Name 3-methylhistidine zwitterion
ChEBI ID CHEBI:133609
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H11N3O2
Net Charge 0
Average Mass 169.181
Monoisotopic Mass 169.08513
InChI InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)
InChIKey JDHILDINMRGULE-UHFFFAOYSA-N
SMILES [O-]C(=O)C([NH3+])CC=1N(C=NC1)C
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 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 3-methylhistidine (CHEBI:70959) is tautomer of 3-methylhistidine zwitterion (CHEBI:133609)
IUPAC Name
2-azaniumyl-3-(1-methyl-1H-imidazol-5-yl)propanoate
Last Modified
12 October 2016