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CHEBI:133668 - 3-O-methyldopa zwitterion

ChEBI IDCHEBI:133668
ChEBI Name3-O-methyldopa zwitterion
Stars
ASCII Name3-O-methyldopa zwitterion
DefinitionAn aromatic L-α-amino acid zwitterion resulting from transfer of a proton from the carboxy to the amino group of 3-O-methyldopa. Major species at pH 7.3
Last Modified31 March 2022
Submitterjjtluanloet
DownloadsMolfile
FormulaC10H13NO4
Net Charge0
Average Mass211.217
Monoisotopic Mass211.08446
SMILESCOc1cc(C[C@H]([NH3+])C(=O)[O-])ccc1O
InChIInChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyPFDUUKDQEHURQC-ZETCQYMHSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-O-methyldopa zwitterion (CHEBI:133668) has role human metabolite (CHEBI:77746)
3-O-methyldopa zwitterion (CHEBI:133668) is a aromatic L-α-amino acid zwitterion (CHEBI:84824)
3-O-methyldopa zwitterion (CHEBI:133668) is tautomer of 3-O-methyldopa (CHEBI:82913)
Incoming Relation(s)
3-O-methyldopa (CHEBI:82913) is tautomer of 3-O-methyldopa zwitterion (CHEBI:133668)
IUPAC Name 
(2S)-2-azaniumyl-3-(4-hydroxy-3-methoxyphenyl)propanoate
Synonyms  Source
3-methoxy-L-tyrosine zwitterionChEBI
3-methoxytyrosine zwitterionChEBI
3-O-methyldopaChEBI
4-hydroxy-3-methoxy-L-phenylalanine zwitterionChEBI
UniProt Name  Source
3-O-methyl-L-dopaUniProt