Record Information |
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Version | 1.0 |
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Created at | 2022-02-14 20:56:00 UTC |
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Updated at | 2022-03-10 22:21:31 UTC |
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NP-MRD ID | NP0044396 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | L-Glutamic gamma-semialdehyde |
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Description | L-Glutamic gamma-semialdehyde, also known as L-glutamate 5-semialdehyde or 5-oxo-L-norvaline, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-Glutamic gamma-semialdehyde is a very strong basic compound (based on its pKa). L-Glutamic gamma-semialdehyde exists in all living species, ranging from bacteria to humans. A glutamic semialdehyde arising from formal reduction of the side-chain carboxy group of L-glutamic acid. Outside of the human body, L-Glutamic gamma-semialdehyde has been detected, but not quantified in, several different foods, such as oil palms, pak choy, oregon yampahs, chicory leaves, and broad beans. This could make L-glutamic gamma-semialdehyde a potential biomarker for the consumption of these foods. L-Glutamic gamma-semialdehyde is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
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Structure | InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1 |
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Synonyms | Value | Source |
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5-oxo-L-Norvaline | ChEBI | L-Glutamate 5-semialdehyde | ChEBI | L-Glutamate gamma-semialdehyde | ChEBI | L-Glutamic acid 5-semialdehyde | Generator | L-Glutamate g-semialdehyde | Generator | L-Glutamate γ-semialdehyde | Generator | L-Glutamic acid g-semialdehyde | Generator | L-Glutamic acid gamma-semialdehyde | Generator | L-Glutamic acid γ-semialdehyde | Generator | L-Glutamic g-semialdehyde | Generator | L-Glutamic γ-semialdehyde | Generator | Glutamate-semialdehyde | HMDB | Glutamic gamma-semialdehyde | HMDB | L-Glutamate-5-semialdehyde | HMDB | L-Glutamate-gamma-semialdehyde | HMDB | L-Glutamic-gamma-semialdehyde | HMDB | gamma-Glutamyl semialdehyde | HMDB | Glutamate gamma-semialdehyde | HMDB | Glutamic acid gamma-semialdehyde | HMDB | Glutamic acid gamma-semialdehyde, (L)-isomer | HMDB |
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Chemical Formula | C5H9NO3 |
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Average Mass | 131.1299 Da |
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Monoisotopic Mass | 131.05824 Da |
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IUPAC Name | (2S)-2-amino-5-oxopentanoic acid |
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Traditional Name | 4-carboxy-4-aminobutanal |
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CAS Registry Number | 496-92-4 |
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SMILES | N[C@@H](CCC=O)C(O)=O |
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InChI Identifier | InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1 |
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InChI Key | KABXUUFDPUOJMW-BYPYZUCNSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-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 | L-alpha-amino acids |
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Alternative Parents | |
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Substituents | - L-alpha-amino acid
- Fatty acid
- Alpha-hydrogen aldehyde
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Aldehyde
- Hydrocarbon derivative
- Organic oxide
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Carbonyl group
- Amine
- Organic nitrogen compound
- 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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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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