Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:14:19 UTC |
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Update date | 2019-11-26 03:17:26 UTC |
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Primary ID | FDB019375 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | gamma-Glutamylcysteinylserine |
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Description | gamma-Glutamylcysteinylserine belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. gamma-Glutamylcysteinylserine has been detected, but not quantified in, a few different foods, such as breakfast cereal, cereals and cereal products, and wheats (Triticum). This could make gamma-glutamylcysteinylserine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on gamma-Glutamylcysteinylserine. |
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CAS Number | 144331-30-6 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C11H19N3O7S |
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IUPAC name | 2-amino-4-({1-[(1-carboxy-2-hydroxyethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid |
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InChI Identifier | InChI=1S/C11H19N3O7S/c12-5(10(18)19)1-2-8(16)13-7(4-22)9(17)14-6(3-15)11(20)21/h5-7,15,22H,1-4,12H2,(H,13,16)(H,14,17)(H,18,19)(H,20,21) |
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InChI Key | QWHVIVGONDEFNH-UHFFFAOYSA-N |
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Isomeric SMILES | NC(CCC(=O)NC(CS)C(=O)NC(CO)C(O)=O)C(O)=O |
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Average Molecular Weight | 337.349 |
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Monoisotopic Molecular Weight | 337.094370667 |
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Classification |
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Description | Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. |
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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 | Peptides |
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Alternative Parents | |
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Substituents | - Alpha peptide
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Serine or derivatives
- Alpha-amino acid
- Alpha-amino acid or derivatives
- Beta-hydroxy acid
- Dicarboxylic acid or derivatives
- Fatty acid
- Hydroxy acid
- Amino acid or derivatives
- Amino acid
- Alkylthiol
- Carboximidic acid
- Carboximidic acid derivative
- Carboxylic acid
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Primary aliphatic amine
- Organic oxygen compound
- Hydrocarbon derivative
- Organic nitrogen compound
- Alcohol
- Carbonyl group
- Organic oxide
- Organopnictogen compound
- Amine
- Primary amine
- Organonitrogen compound
- Organooxygen compound
- Organosulfur compound
- Primary alcohol
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | Route of exposure: Source: Biological location: |
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Role | 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 | gamma-Glutamylcysteinylserine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-052f-9382000000-2010578d75897c6f9abe | Spectrum | Predicted GC-MS | gamma-Glutamylcysteinylserine, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-000i-3954660000-43e680ae65764c94ccc3 | Spectrum | Predicted GC-MS | gamma-Glutamylcysteinylserine, 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 | splash10-00dl-1297000000-c59c585a2612161e1235 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a6u-6790000000-901e0a614b0f7544bea5 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a6r-9510000000-352132da812e99a864b6 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00li-1169000000-5ac74b3bad468ca7c11b | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0kmr-3594000000-7f4561c1d4cf1b0fe1a5 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0f6x-9500000000-ec42fe3f4d3c187d8355 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0139000000-b832522f2a4d4f0024a8 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a6r-5942000000-4c07fdcfcb33fa1bcd47 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9500000000-0559aa9919b1a27849e2 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0g1r-3859000000-5ee1ba65a401fa5f8ceb | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udj-1963000000-0fd034677d55f41d6158 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0f96-8900000000-e4323643d56807742389 | 2021-09-22 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 11595881 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | Not Available |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB39733 |
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CRC / DFC (Dictionary of Food Compounds) ID | LXC99-N:LXC99-N |
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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 | Not Available |
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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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