CHEBI:189415 - α-methyl-L-histidine

ChEBI IDCHEBI:189415
ChEBI Nameα-methyl-L-histidine
Stars
ASCII Namealpha-methyl-L-histidine
DefinitionAn α-methylhistidine that has L-configuration.
Last Modified20 January 2022
SubmitterAdnan
DownloadsMolfile
FormulaC7H11N3O2
Net Charge0
Average Mass169.184
Monoisotopic Mass169.08513
SMILESC[C@](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)/t7-/m0/s1
InChIKeyHRRYYCWYCMJNGA-ZETCQYMHSA-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).
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-methyl-L-histidine (CHEBI:189415) has functional parent L-histidine (CHEBI:15971)
α-methyl-L-histidine (CHEBI:189415) is a α-methylhistidine (CHEBI:70960)
IUPAC Name 
α-methyl-L-histidine
Synonyms  Source
(2S)-2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acidIUPAC
α-methylhistidineChemIDplus
Manual XrefsDatabases
CPD-10906MetaCyc
132894ChemSpider
Registry NumbersSources
CAS:587-20-2ChemIDplus
Citations