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CHEBI:192994 - 4-O-methyl-L-dopa zwitterion

ChEBI IDCHEBI:192994
ChEBI Name4-O-methyl-L-dopa zwitterion
Stars
ASCII Name4-O-methyl-L-dopa zwitterion
DefinitionAn aromatic L-α-amino acid zwitterion resulting from transfer of a proton from the carboxy to the amino group of 4-O-methyl-L-dopa. Major species at pH 7.3
Last Modified24 August 2022
SubmitterAnne Morgat
DownloadsMolfile
FormulaC10H13NO4
Net Charge0
Average Mass211.217
Monoisotopic Mass211.08446
SMILESCOc1ccc(C[C@H]([NH3+])C(=O)[O-])cc1O
InChIInChI=1S/C10H13NO4/c1-15-9-3-2-6(5-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyQRXPIKKZQGWJMW-ZETCQYMHSA-N
ChEBI Ontology
Outgoing Relation(s)
4-O-methyl-L-dopa zwitterion (CHEBI:192994) is a aromatic L-α-amino acid zwitterion (CHEBI:84824)
4-O-methyl-L-dopa zwitterion (CHEBI:192994) is tautomer of 4-O-methyl-L-dopa (CHEBI:193023)
Incoming Relation(s)
4-O-methyl-L-dopa (CHEBI:193023) is tautomer of 4-O-methyl-L-dopa zwitterion (CHEBI:192994)
IUPAC Name 
(2S)-2-azaniumyl-3-(3-hydroxy-4-methoxyphenyl)propanoate
Synonyms  Source
3-hydroxy-4-methoxy-L-phenylalanine zwitterionSUBMITTER
(2S)-2-ammonio-3-(3-hydroxy-4-methoxyphenyl)propanoateChEBI
UniProt Name  Source
4-O-methyl-L-dopaUniProt