CHEBI:82913 - 3-O-methyldopa

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ChEBI Name 3-O-methyldopa
ChEBI ID CHEBI:82913
ChEBI ASCII Name 3-O-methyldopa
Definition A L-tyrosine derivative that is the 3-methoxy derivative of L-dopa.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H13NO4
Net Charge 0
Average Mass 211.21450
Monoisotopic Mass 211.08446
InChI InChI=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
InChIKey PFDUUKDQEHURQC-ZETCQYMHSA-N
SMILES COc1cc(C[C@H](N)C(O)=O)ccc1O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via L-alpha-amino acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-O-methyldopa (CHEBI:82913) has functional parent L-dopa (CHEBI:15765)
3-O-methyldopa (CHEBI:82913) has role human metabolite (CHEBI:77746)
3-O-methyldopa (CHEBI:82913) is a L-tyrosine derivative (CHEBI:27177)
3-O-methyldopa (CHEBI:82913) is a monomethoxybenzene (CHEBI:25235)
3-O-methyldopa (CHEBI:82913) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
3-O-methyldopa (CHEBI:82913) is tautomer of 3-O-methyldopa zwitterion (CHEBI:133668)
Incoming 3-O-methyldopa zwitterion (CHEBI:133668) is tautomer of 3-O-methyldopa (CHEBI:82913)
IUPAC Name
3-methoxy-L-tyrosine
Synonym Source
L-3-(4-hydroxy-3-methoxyphenyl)-alanine ChEBI
Manual Xrefs Databases
3-O-Methyldopa Wikipedia
HMDB0001434 HMDB
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Registry Numbers Types Sources
2379987 Reaxys Registry Number Reaxys
300-48-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23503547 PubMed citation Europe PMC
24513538 PubMed citation Europe PMC
Last Modified
06 October 2016