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
Last Modified
20 January 2022