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CHEBI:133591 - N-acetyl-L-tyrosinate

ChEBI IDCHEBI:133591
ChEBI NameN-acetyl-L-tyrosinate
Stars
ASCII NameN-acetyl-L-tyrosinate
DefinitionA monocarboxylic acid anion that is the conjugate base of N-acetyl-L-tyrosine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified12 October 2016
Submitterjjtluanloet
DownloadsMolfile
FormulaC11H12NO4
Net Charge-1
Average Mass222.220
Monoisotopic Mass222.07718
SMILESCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]
InChIInChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/p-1/t10-/m0/s1
InChIKeyCAHKINHBCWCHCF-JTQLQIEISA-M
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-L-tyrosinate (CHEBI:133591) is a N-acyl-L-α-amino acid anion (CHEBI:59874)
N-acetyl-L-tyrosinate (CHEBI:133591) is a monocarboxylic acid anion (CHEBI:35757)
N-acetyl-L-tyrosinate (CHEBI:133591) is conjugate base of N-acetyl-L-tyrosine (CHEBI:21563)
Incoming Relation(s)
N-acetyl-L-tyrosine (CHEBI:21563) is conjugate acid of N-acetyl-L-tyrosinate (CHEBI:133591)
IUPAC Name 
(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate
Synonyms  Source
N-acetyl-L-tyrosine(1−)ChEBI
N-acetyltyrosinateChEBI
Registry NumbersSources
Reaxys:5962220Reaxys