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CHEBI:167646 - N-methyl-L-dopa

ChEBI IDCHEBI:167646
ChEBI NameN-methyl-L-dopa
Stars
ASCII NameN-methyl-L-dopa
DefinitionThe L-enantiomer of N-methyldopa.
Last Modified12 March 2021
SubmitterAdnan
DownloadsMolfile
FormulaC10H13NO4
Net Charge0
Average Mass211.217
Monoisotopic Mass211.08446
SMILESCN[C@@H](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)/t7-/m0/s1
InChIKeyQZIWDCLHLOADPK-ZETCQYMHSA-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-methyl-L-dopa (CHEBI:167646) has functional parent L-dopa (CHEBI:15765)
N-methyl-L-dopa (CHEBI:167646) is a N-methyldopa (CHEBI:167648)
N-methyl-L-dopa (CHEBI:167646) is enantiomer of N-methyl-D-dopa (CHEBI:167647)
N-methyl-L-dopa (CHEBI:167646) is tautomer of N-methyl-L-dopa zwitterion (CHEBI:167490)
Incoming Relation(s)
N-methyl-D-dopa (CHEBI:167647) is enantiomer of N-methyl-L-dopa (CHEBI:167646)
N-methyl-L-dopa zwitterion (CHEBI:167490) is tautomer of N-methyl-L-dopa (CHEBI:167646)
IUPAC Name 
3-hydroxy-N-methyl-L-tyrosine
Synonyms  Source
(2S)-3-(3,4-dihydroxyphenyl)-2-(methylamino)propanoic acidIUPAC
N-methyl-3,4-dihydroxy-L-phenylalanineChEBI
β-(3,4-dihydroxyphenyl)-N-methyl-L-alanineChEBI
Registry NumbersSources
CAS:70152-53-3ChEBI