EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70960 - α-methylhistidine

Default Structure
ChEBI IDCHEBI:70960
ChEBI Nameα-methylhistidine
Stars
ASCII Namealpha-methylhistidine
DefinitionA non-proteinogenic α-amino acid that is histidine in which the methyl group is located at the Cα-position.
Last Modified20 January 2022
Submittermwilliams
DownloadsMolfile
FormulaC7H11N3O2
Net Charge0
Average Mass169.184
Monoisotopic Mass169.08513
SMILESCC(N)(Cc1cncn1)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-7(8,6(11)12)2-5-3-9-4-10-5/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyHRRYYCWYCMJNGA-UHFFFAOYSA-N
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 urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
α-methylhistidine (CHEBI:70960) has functional parent histidine (CHEBI:27570)
α-methylhistidine (CHEBI:70960) has role human urinary metabolite (CHEBI:84087)
α-methylhistidine (CHEBI:70960) is a non-proteinogenic α-amino acid (CHEBI:83925)
Incoming Relation(s)
α-methyl-L-histidine (CHEBI:189415) is a α-methylhistidine (CHEBI:70960)
IUPAC Name 
α-methylhistidine
Synonym  Source
2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acidIUPAC
Manual XrefsDatabases
3598122ChemSpider
Registry NumbersSources
Reaxys:957971Reaxys
Citations