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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 | PAMDB000997 |
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Identification |
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| Name: |
gamma-Glutamyl-beta-aminopropiononitrile |
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| Description: | Gamma-glutamyl-beta-aminopropiononitrile is a member of the chemical class known as 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: | - g-Glutamyl-3-aminopropiononitrile
- g-Glutamyl-b-aminopropiononitrile
- Gamma-Glutamyl-3-aminopropiononitrile
- γ-Glutamyl-3-aminopropiononitrile
- γ-Glutamyl-β-aminopropiononitrile
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Chemical Formula: |
C8H13N3O3 |
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| Average Molecular Weight: |
199.2071 |
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| Monoisotopic Molecular
Weight: |
199.095691297 |
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| InChI Key: |
VQPVVWAFTIFKDD-LURJTMIESA-N |
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| InChI: | InChI=1S/C8H13N3O3/c9-4-1-5-11-7(12)3-2-6(10)8(13)14/h6H,1-3,5,10H2,(H,11,12)(H,13,14)/t6-/m0/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | (2S)-2-amino-4-[(2-cyanoethyl)-C-hydroxycarbonimidoyl]butanoic acid |
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Traditional IUPAC Name: |
(2S)-2-amino-4-[(2-cyanoethyl)-C-hydroxycarbonimidoyl]butanoic acid |
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| SMILES: | [H][C@](N)(CCC(O)=NCCC#N)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 d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom. |
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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 |
D-alpha-amino acids |
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| Alternative Parents |
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| Substituents |
- D-alpha-amino acid
- Amino fatty acid
- Fatty acyl
- Fatty acid
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Nitrile
- Carbonitrile
- Monocarboxylic acid or derivatives
- 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 |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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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: |
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