| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:38 UTC |
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| Update date | 2017-01-19 02:36:23 UTC |
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| FoodComEx ID | PC000426 |
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| FoodDB Record | FDB022288 |
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| Chemical Information |
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| Name | N-Acetyl-L-tyrosine |
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| Description | Acetyltyrosine 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] |
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| CAS Number | 537-55-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoate | hmdb | | (2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoic acid | hmdb | | L-N-acetyl-Tyrosine | hmdb | | L-N-Acetyltyrosine | hmdb | | N-acetyl-4-hydroxyphenylalanine | hmdb | | N-Acetyl-L-tyrosine | hmdb | | N-Acetyl-tyrosine | hmdb | | N-Acetyltyrosine | hmdb |
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| Chemical Formula | C11H13NO4 |
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| IUPAC name | (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid |
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| InChI Identifier | InChI=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 |
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| InChI Key | CAHKINHBCWCHCF-JTQLQIEISA-N |
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| Isomeric SMILES | CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O |
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| Average Molecular Weight | 223.2252 |
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| Monoisotopic Molecular Weight | 223.084457909 |
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| Chemical Taxonomy |
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| 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. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Tyrosine and derivatives |
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| Alternative Parents | |
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| 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
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 1 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | F798 |
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| Glentham | GM0216 |
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| MetaSci | HMDB0000866 |
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| Sigma-Aldrich | HMDB0000866 |
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| Toronto Research Chemicals | A189735 |
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