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CHEBI:90141 - tyrosine betaine

ChEBI IDCHEBI:90141
ChEBI Nametyrosine betaine
Stars
DefinitionAn amino acid betaine derived from tyrosine.
Last Modified15 April 2016
Submittermwilliams
DownloadsMolfile
FormulaC12H17NO3
Net Charge0
Average Mass223.272
Monoisotopic Mass223.12084
SMILESC[N+](C)(C)C(Cc1ccc(O)cc1)C(=O)[O-]
InChIInChI=1S/C12H17NO3/c1-13(2,3)11(12(15)16)8-9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3,(H-,14,15,16)
InChIKeyKDVBLCRQNNLSIV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
- DOI (10.1371/journal.pone.0115359)
- MetaboLights (MTBLS87)
- MetaboLights (MTBLS88)
ChEBI Ontology
Outgoing Relation(s)
tyrosine betaine (CHEBI:90141) is a amino-acid betaine (CHEBI:22860)
tyrosine betaine (CHEBI:90141) is a tyrosine derivative (CHEBI:62761)
Incoming Relation(s)
D-tyrosine betaine (CHEBI:126432) is a tyrosine betaine (CHEBI:90141)
L-tyrosine betaine (CHEBI:126352) is a tyrosine betaine (CHEBI:90141)
IUPAC Name 
3-(4-hydroxyphenyl)-2-(trimethylazaniumyl)propanoate
Synonym  Source
N,N,N-trimethyltyrosineChEBI
Citations