CHEBI:70960 - α-methylhistidine

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ChEBI Name α-methylhistidine
ChEBI ID CHEBI:70960
ChEBI ASCII Name alpha-methylhistidine
Definition A non-proteinogenic α-amino acid that is histidine in which the methyl group is located at the Cα-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C7H11N3O2
Net Charge 0
Average Mass 169.18110
Monoisotopic Mass 169.08513
InChI InChI=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)
InChIKey HRRYYCWYCMJNGA-UHFFFAOYSA-N
SMILES CC(N)(Cc1cnc[nH]1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 acid IUPAC
Manual Xref Database
3598122 ChemSpider
View more database links
Registry Number Type Source
957971 Reaxys Registry Number Reaxys
Citations Types Sources
14216610 PubMed citation Europe PMC
22770225 PubMed citation Europe PMC
24384130 PubMed citation Europe PMC
2446370 PubMed citation Europe PMC
3997848 PubMed citation Europe PMC
4026995 PubMed citation Europe PMC
Last Modified
20 January 2022