| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:31:55 UTC |
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| Update Date | 2020-04-22 15:03:56 UTC |
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| BMDB ID | BMDB0000512 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | N-Acetyl-L-phenylalanine |
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| Description | N-Acetyl-L-phenylalanine belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-Acetyl-L-phenylalanine exists in all eukaryotes, ranging from yeast to plants to humans. Based on a literature review a significant number of articles have been published on N-Acetyl-L-phenylalanine. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Acetyl-L-phenylalanine | ChEBI | | Acetylphenylalanine | ChEBI | | L-N-Acetylphenylalanine | ChEBI | | N-Acetylphenylalanine | ChEBI | | N-Acetyl-3-phenyl-L-alanine | HMDB | | N-Acetyl-L-phenalanine | HMDB | | N-Acetylphenylalanine, (D,L)-isomer, 3H-labeled | HMDB | | N-Acetylphenylalanine, (L)-isomer | HMDB | | N-Acetylphenylalanine, (L)-isomer, 3H-labeled | HMDB | | N-Acetylphenylalanine, (D)-isomer | HMDB |
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| Chemical Formula | C11H13NO3 |
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| Average Molecular Weight | 207.2258 |
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| Monoisotopic Molecular Weight | 207.089543287 |
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| IUPAC Name | (2S)-2-acetamido-3-phenylpropanoic acid |
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| Traditional Name | acetyl-L-phenylalanine |
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| CAS Registry Number | 2018-61-3 |
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| SMILES | CC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O |
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| InChI Identifier | InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 |
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| InChI Key | CBQJSKKFNMDLON-JTQLQIEISA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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 | Phenylalanine and derivatives |
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| Alternative Parents | |
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| Substituents | - Phenylalanine or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- 3-phenylpropanoic-acid
- Amphetamine or derivatives
- Monocyclic benzene moiety
- Benzenoid
- Carboximidic acid
- Carboximidic acid derivative
- Carboxylic acid
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Carbonyl group
- 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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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 171 - 173 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | 0.93 | GREEN,PG ET AL. (1991) |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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