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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB000998 |
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Identification |
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| Name: |
gamma-Glutamyl-beta-cyanoalanine |
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| Description: | Gamma-glutamyl-beta-cyanoalanine belongs to the class of Alpha Amino Acids and Derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). |
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Structure |
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| Synonyms: | - 2-amino-5-(1-Carboxy-2-cyanoethyl)amino-5-oxopentanoate
- 2-amino-5-(1-carboxy-2-cyanoethyl)amino-5-oxopentanoic acid
- g-Glutamyl-b-cyanoalanine
- γ-Glutamyl-β-cyanoalanine
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Chemical Formula: |
C9H13N3O5 |
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| Average Molecular Weight: |
243.2166 |
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| Monoisotopic Molecular
Weight: |
243.085520541 |
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| InChI Key: |
QUAADUAOVLZBJM-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C9H13N3O5/c10-4-3-6(9(16)17)12-7(13)2-1-5(11)8(14)15/h5-6H,1-3,11H2,(H,12,13)(H,14,15)(H,16,17) |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 2-amino-4-[(1-carboxy-2-cyanoethyl)-C-hydroxycarbonimidoyl]butanoic acid |
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Traditional IUPAC Name: |
gamma-glutamyl-β-cyanoalanine |
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| SMILES: | NC(CCC(O)=NC(CC#N)C(O)=O)C(O)=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as n-acyl-aliphatic-alpha amino acids. These are alpha amino acids carrying a N-acylated aliphatic chain. |
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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 |
N-acyl-aliphatic-alpha amino acids |
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| Alternative Parents |
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| Substituents |
- N-acyl-aliphatic-alpha amino acid
- Alpha-amino acid
- Amino fatty acid
- Fatty acyl
- Fatty acid
- Dicarboxylic acid or derivatives
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Nitrile
- Carbonitrile
- Carboxylic acid
- Carboximidic acid derivative
- Carboximidic acid
- Hydrocarbon derivative
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Carbonyl group
- Amine
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
Not Available |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -1 |
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Melting point: |
Not Available |
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| Experimental Properties: |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Cytoplasm |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
| Resource | Link |
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| CHEBI ID | Not Available | | HMDB ID | Not Available | | Pubchem Compound ID | 440768 | | Kegg ID | C05711 | | ChemSpider ID | 389637 | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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