CHEBI:50601 - Nα-methyl-L-histidine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Nα-methyl-L-histidine
ChEBI ID CHEBI:50601
ChEBI ASCII Name N(alpha)-methyl-L-histidine
Definition A Nα-methyl-L-histidines that is L-histidine bearing a single methyl substituent at the Nα-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:50600, CHEBI:7464
Supplier Information
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Formula C7H11N3O2
Net Charge 0
Average Mass 169.18126
Monoisotopic Mass 169.08513
InChI InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKey CYZKJBZEIFWZSR-LURJTMIESA-N
SMILES CN[C@@H](Cc1c[nH]cn1)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Nα-methyl-L-histidine (CHEBI:50601) is a Nα-methyl-L-histidines (CHEBI:21911)
Nα-methyl-L-histidine (CHEBI:50601) is tautomer of Nα-methyl-L-histidine zwitterion (CHEBI:75895)
Incoming Nα-methyl-L-histidine residue (CHEBI:195204) is substituent group from Nα-methyl-L-histidine (CHEBI:50601)
Nα-methyl-L-histidine zwitterion (CHEBI:75895) is tautomer of Nα-methyl-L-histidine (CHEBI:50601)
IUPAC Names
(2S)-3-(1H-imidazol-4-yl)-2-(methylamino)propanoic acid
N-methyl-L-histidine
Synonyms Sources
N-Methyl-L-histidine KEGG COMPOUND
Nalpha-Methylhistidine KEGG COMPOUND
Manual Xrefs Databases
C03298 KEGG COMPOUND
CPD-15285 MetaCyc
View more database links
Registry Numbers Types Sources
24886-03-1 CAS Registry Number KEGG COMPOUND
24886-03-1 CAS Registry Number ChemIDplus
84027 Reaxys Registry Number Reaxys
84027 Beilstein Registry Number Beilstein
Last Modified
21 July 2023