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CHEBI:50601 - Nα-methyl-L-histidine

ChEBI IDCHEBI:50601
ChEBI NameNα-methyl-L-histidine
Stars
ASCII NameN(alpha)-methyl-L-histidine
DefinitionA Nα-methyl-L-histidines that is L-histidine bearing a single methyl substituent at the Nα-position.
Secondary ChEBI IDsCHEBI:7464, CHEBI:50600
Last Modified21 July 2023
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H11N3O2
Net Charge0
Average Mass169.184
Monoisotopic Mass169.08513
SMILESCN[C@@H](Cc1cncn1)C(=O)O
InChIInChI=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
InChIKeyCYZKJBZEIFWZSR-LURJTMIESA-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).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 
N-methyl-L-histidine
(2S)-3-(1H-imidazol-4-yl)-2-(methylamino)propanoic acid
Synonyms  Source
Nalpha-MethylhistidineKEGG COMPOUND
N-Methyl-L-histidineKEGG COMPOUND
Manual XrefsDatabases
C03298KEGG COMPOUND
CPD-15285MetaCyc
Registry NumbersSources
Reaxys:84027Reaxys
CAS:24886-03-1KEGG COMPOUND
CAS:24886-03-1ChemIDplus