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CHEBI:70959 - 3-methylhistidine

ChEBI IDCHEBI:70959
ChEBI Name3-methylhistidine
Stars
DefinitionA methylhistidine in which the methyl group is located at N-3.
Last Modified6 July 2017
Submittermwilliams
DownloadsMolfile
FormulaC7H11N3O2
Net Charge0
Average Mass169.184
Monoisotopic Mass169.08513
SMILESCn1cncc1CC(N)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
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (24009031)
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 metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-methylhistidine (CHEBI:70959) has role human metabolite (CHEBI:77746)
3-methylhistidine (CHEBI:70959) is a methylhistidine (CHEBI:137682)
3-methylhistidine (CHEBI:70959) is a non-proteinogenic α-amino acid (CHEBI:83925)
3-methylhistidine (CHEBI:70959) is tautomer of 3-methylhistidine zwitterion (CHEBI:133609)
Incoming Relation(s)
3-methylhistidine zwitterion (CHEBI:133609) is tautomer of 3-methylhistidine (CHEBI:70959)
IUPAC Names 
3-methylhistidine
2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
Synonym  Source
3-methyl-DL-histidineChEBI
Registry NumbersSources
Reaxys:83652Reaxys
Citations