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CHEBI:90142 - O,2,3-trimethyltyrosine

ChEBI IDCHEBI:90142
ChEBI NameO,2,3-trimethyltyrosine
Stars
ASCII NameO,2,3-trimethyltyrosine
DefinitionA non-proteinogenic α-amino acid that is tyrosine in which the hydrogens at positions 2 and 3 as well as the phenolic hydrogen are replaced by methyl groups.
Last Modified15 April 2016
Submittermwilliams
DownloadsMolfile
FormulaC12H17NO3
Net Charge0
Average Mass223.272
Monoisotopic Mass223.12084
SMILESCOc1ccc(CC(N)C(=O)O)c(C)c1C
InChIInChI=1S/C12H17NO3/c1-7-8(2)11(16-3)5-4-9(7)6-10(13)12(14)15/h4-5,10H,6,13H2,1-3H3,(H,14,15)
InChIKeyXOXKSLGPWZNSBO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
- MetaboLights (MTBLS87)
- MetaboLights (MTBLS88)
- DOI (10.1371/journal.pone.0115359)
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).
ChEBI Ontology
Outgoing Relation(s)
O,2,3-trimethyltyrosine (CHEBI:90142) is a monomethoxybenzene (CHEBI:25235)
O,2,3-trimethyltyrosine (CHEBI:90142) is a non-proteinogenic α-amino acid (CHEBI:83925)
O,2,3-trimethyltyrosine (CHEBI:90142) is a tyrosine derivative (CHEBI:62761)
Incoming Relation(s)
D-O,2,3-trimethyltyrosine (CHEBI:127151) is a O,2,3-trimethyltyrosine (CHEBI:90142)
L-O,2,3-trimethyltyrosine (CHEBI:127106) is a O,2,3-trimethyltyrosine (CHEBI:90142)
IUPAC Name 
O,2,3-trimethyltyrosine
Synonym  Source
2-amino-3-(4-methoxy-2,3-dimethylphenyl)propanoic acidIUPAC