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> Main
CHEBI:70960 - α-methylhistidine
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ChEBI Ontology
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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 (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted 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-(1
H
-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