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CHEBI:90135 - 2,4,6-trimethylphenylalanine

ChEBI IDCHEBI:90135
ChEBI Name2,4,6-trimethylphenylalanine
Stars
DefinitionA non-proteinogenic α-amino acid that is phenylalanine in which the phenyl ring is methylated at positions 2, 4 and 6.
Last Modified14 April 2016
Submittermwilliams
DownloadsMolfile
FormulaC12H17NO2
Net Charge0
Average Mass207.273
Monoisotopic Mass207.12593
SMILESCc1cc(C)c(CC(N)C(=O)O)c(C)c1
InChIInChI=1S/C12H17NO2/c1-7-4-8(2)10(9(3)5-7)6-11(13)12(14)15/h4-5,11H,6,13H2,1-3H3,(H,14,15)
InChIKeyCRNOZLNQYAUXRK-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)
2,4,6-trimethylphenylalanine (CHEBI:90135) is a non-proteinogenic α-amino acid (CHEBI:83925)
2,4,6-trimethylphenylalanine (CHEBI:90135) is a phenylalanine derivative (CHEBI:25985)
Incoming Relation(s)
D-2,4,6-trimethylphenylalanine (CHEBI:110424) is a 2,4,6-trimethylphenylalanine (CHEBI:90135)
L-2,4,6-trimethylphenylalanine (CHEBI:110390) is a 2,4,6-trimethylphenylalanine (CHEBI:90135)
IUPAC Name 
2,4,6-trimethylphenylalanine
Synonym  Source
2-amino-3-(2,4,6-trimethylphenyl)propanoic acidIUPAC