Record Information
Version1.0
Creation date2015-10-09 22:30:38 UTC
Update date2017-01-19 02:36:23 UTC
FoodComEx IDPC000426
FoodDB RecordFDB022288
Chemical Information
NameN-Acetyl-L-tyrosine
DescriptionAcetyltyrosine is a side chain reaction of tyrosine. It converts to tyrosine and then can be used in neurotransmitter treatment as a precursor of cathecholamine (http://www.neuroassist.com/). [HMDB]
CAS Number537-55-3
Structure
Thumb
Synonyms
SynonymSource
(2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoatehmdb
(2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoic acidhmdb
L-N-acetyl-Tyrosinehmdb
L-N-Acetyltyrosinehmdb
N-acetyl-4-hydroxyphenylalaninehmdb
N-Acetyl-L-tyrosinehmdb
N-Acetyl-tyrosinehmdb
N-Acetyltyrosinehmdb
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=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)/t10-/m0/s1
InChI KeyCAHKINHBCWCHCF-JTQLQIEISA-N
Isomeric SMILESCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
Average Molecular Weight223.2252
Monoisotopic Molecular Weight223.084457909
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentTyrosine and derivatives
Alternative Parents
Substituents
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • 3-phenylpropanoic-acid
  • Amphetamine or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Acetamide
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 1 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci F798
Glentham GM0216
MetaSci HMDB0000866
Sigma-Aldrich HMDB0000866
Toronto Research Chemicals A189735