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CHEBI:172453 - 3-Methoxytyrosine

Default Structure
ChEBI IDCHEBI:172453
ChEBI Name3-Methoxytyrosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H13NO4
Net Charge0
Average Mass211.217
Monoisotopic Mass211.08446
SMILESCOc1cc(CC(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)
InChIKeyPFDUUKDQEHURQC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
3-Methoxytyrosine (CHEBI:172453) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Manual XrefsDatabases
1607ChemSpider
HMDB0001434HMDB
Registry NumbersSources
CAS:7636-26-2ChemIDplus