EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:82913 - 3-O-methyldopa

ChEBI IDCHEBI:82913
ChEBI Name3-O-methyldopa
Stars
ASCII Name3-O-methyldopa
DefinitionA L-tyrosine derivative that is the 3-methoxy derivative of L-dopa.
Last Modified25 November 2019
Submitternamrata
DownloadsMolfile
FormulaC10H13NO4
Net Charge0
Average Mass211.217
Monoisotopic Mass211.08446
SMILESCOc1cc(C[C@H](N)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
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (23503547)
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).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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)-alanineChEBI
Manual XrefsDatabases
3-O-MethyldopaWikipedia
HMDB0001434HMDB
3YMPDBeChem
Registry NumbersSources
Reaxys:2379987Reaxys
CAS:300-48-1ChemIDplus
Citations