CHEBI:176469 - Trimethyltyrosine

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ChEBI Name Trimethyltyrosine
ChEBI ID CHEBI:176469
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H17NO3
Net Charge 0
Average Mass 223.272
Monoisotopic Mass 223.12084
InChI InChI=1S/C12H17NO3/c1-12(11(15)16,13(2)3)8-9-4-6-10(14)7-5-9/h4-7,14H,8H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKey KOHIPRUAATWABH-LBPRGKRZSA-N
SMILES OC(=O)[C@@](N(C)C)(CC1=CC=C(O)C=C1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Trimethyltyrosine (CHEBI:176469) is a benzenes (CHEBI:22712)
Trimethyltyrosine (CHEBI:176469) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)-2-methylpropanoic acid