Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:17:55 UTC |
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Update date | 2019-11-26 03:21:05 UTC |
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Primary ID | FDB022686 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 2-Keto-glutaramic acid |
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Description | 2-Keto-glutaramic acid, also known as 2-ketoglutaramate, belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. 2-Keto-glutaramic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). 2-Keto-glutaramic acid exists in all living species, ranging from bacteria to humans. 2-Keto-glutaramic acid has been detected, but not quantified in, milk (cow). This could make 2-keto-glutaramic acid a potential biomarker for the consumption of these foods. |
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CAS Number | 18465-19-5 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C5H7NO4 |
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IUPAC name | 4-carbamoyl-2-oxobutanoic acid |
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InChI Identifier | InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10) |
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InChI Key | COJBGNAUUSNXHX-UHFFFAOYSA-N |
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Isomeric SMILES | NC(=O)CCC(=O)C(O)=O |
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Average Molecular Weight | 145.1134 |
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Monoisotopic Molecular Weight | 145.037507717 |
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Classification |
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Description | Belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Keto acids and derivatives |
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Sub Class | Short-chain keto acids and derivatives |
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Direct Parent | Short-chain keto acids and derivatives |
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Alternative Parents | |
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Substituents | - Short-chain keto acid
- Alpha-keto acid
- Fatty acyl
- Fatty amide
- Alpha-hydroxy ketone
- Carboxamide group
- Primary carboxylic acid amide
- Ketone
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Carbonyl group
- Organic oxygen compound
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Industrial application: Biological role: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | 2-Keto-glutaramic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0f6x-9300000000-364f00f83f2890864bf3 | Spectrum | Predicted GC-MS | 2-Keto-glutaramic acid, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0uk9-9600000000-f15721df49885ecdf65e | Spectrum | Predicted GC-MS | 2-Keto-glutaramic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-1900000000-2eb098e06d8301b0bce6 | 2015-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-06w9-6900000000-d802d6bf63187e0b9714 | 2015-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0ab9-9000000000-0aaaa6f3f4d3183b6b21 | 2015-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-2900000000-c4ab5bdf984680f19900 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0f96-9800000000-6a2a8c2f9da457c041c2 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-76ca31bd526f5a4086c8 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udl-5900000000-bfedace6bca6e0663444 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-9100000000-0a497925699a66249231 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-90726b17dc36e29c5299 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0fbc-6900000000-a420c6f7f5db4cb58165 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0ac3-9100000000-e9bdcc615e9a7032177c | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0k97-9000000000-02445ea4ef20f8ea72fb | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 47 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C00940 |
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Pubchem Compound ID | 48 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 16769 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB01552 |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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