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CHEBI:167648 - N-methyldopa

ChEBI IDCHEBI:167648
ChEBI NameN-methyldopa
Stars
ASCII NameN-methyldopa
DefinitionA tyrosine derivative that is dopa in which one of the hydrogens of the amino group is replaced by a methyl group.
Last Modified12 March 2021
SubmitterAdnan
DownloadsMolfile
FormulaC10H13NO4
Net Charge0
Average Mass211.217
Monoisotopic Mass211.08446
SMILESCNC(Cc1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C10H13NO4/c1-11-7(10(14)15)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,11-13H,4H2,1H3,(H,14,15)
InChIKeyQZIWDCLHLOADPK-UHFFFAOYSA-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)
N-methyldopa (CHEBI:167648) has functional parent dopa (CHEBI:49168)
N-methyldopa (CHEBI:167648) is a hydroxyphenylalanine (CHEBI:24734)
N-methyldopa (CHEBI:167648) is a non-proteinogenic α-amino acid (CHEBI:83925)
N-methyldopa (CHEBI:167648) is a tyrosine derivative (CHEBI:62761)
Incoming Relation(s)
N-methyl-D-dopa (CHEBI:167647) is a N-methyldopa (CHEBI:167648)
N-methyl-L-dopa (CHEBI:167646) is a N-methyldopa (CHEBI:167648)
IUPAC Name 
3-hydroxy-N-methyltyrosine
Synonyms  Source
3-(3,4-dihydroxyphenyl)-2-(methylamino)propanoic acidIUPAC
N-methyl-3,4-dihydroxyphenylalanineChEBI
N-methyl-dopaChEBI
β-(3,4-dihydroxyphenyl)-N-methyl-alanineChEBI
Registry NumbersSources
CAS:53663-27-7ChEBI
Citations