Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:35:54 UTC |
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Update date | 2015-07-21 06:57:54 UTC |
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Primary ID | FDB023860 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 5-L-Glutamyl-L-alanine |
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Description | 5-L-Glutamyl-L-alanine is a natural substrate of the enzyme 5-L-glutamyl)-L-amino acid 5-glutamyltransferase (cyclizing) (g-glutamylcyclotransferase, EC 2.3.2.2) in the glutathione metabolism pathway, which cleaves 5-L-Glutamyl-L-alanine, producing L-5-oxoproline. gamma-Glutamylcyclotransferase is widely distributed in both human and animal tissues where it catalyzes the scission of the y-peptide bonds of many different gamma-glutamyl-aminoacids and gamma-glutamyl-gamma-glutamyl-amino-acids. The latter are 'better' substrates of the enzyme than the corresponding gamma-glutamyl - amino-acids. (PMID: 2570694, 2893631) [HMDB] |
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CAS Number | 5875-41-2 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C8H14N2O5 |
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IUPAC name | (2S)-2-amino-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid |
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InChI Identifier | InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1 |
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InChI Key | WQXXXVRAFAKQJM-WHFBIAKZSA-N |
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Isomeric SMILES | C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O |
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Average Molecular Weight | 218.2072 |
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Monoisotopic Molecular Weight | 218.090271568 |
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Classification |
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Description | Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
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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 | Dipeptides |
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Alternative Parents | |
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Substituents | - Alpha-dipeptide
- Gamma-glutamyl alpha-amino acid
- Glutamine or derivatives
- N-acyl-l-alpha-amino acid
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alanine or derivatives
- Alpha-amino acid
- Alpha-amino acid or derivatives
- L-alpha-amino acid
- Dicarboxylic acid or derivatives
- Fatty amide
- N-acyl-amine
- Fatty acyl
- Fatty acid
- Amino acid or derivatives
- Carboxamide group
- Amino acid
- Secondary carboxylic acid amide
- Carboxylic acid
- Hydrocarbon derivative
- Primary aliphatic amine
- Organic oxygen compound
- Organic oxide
- Organopnictogen compound
- Organic nitrogen compound
- Carbonyl group
- Amine
- Primary amine
- Organonitrogen compound
- Organooxygen 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 | Biological location: Source: |
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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 | 5-L-Glutamyl-L-alanine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00al-9710000000-e2845b73a5e7cd81881f | Spectrum | Predicted GC-MS | 5-L-Glutamyl-L-alanine, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00dj-9332000000-f7980440d2535885b7ab | Spectrum | Predicted GC-MS | 5-L-Glutamyl-L-alanine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | 5-L-Glutamyl-L-alanine, 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 | splash10-00xr-2940000000-948d6e9385d802328937 | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05br-6900000000-5f1480e854581ee71678 | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4r-9200000000-58a633696455e707016d | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0690000000-92c8a111979eb46fa59f | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-06dj-2930000000-1156c919eda2b8e49fae | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0076-9200000000-737e76bca1d968721a2a | 2016-09-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000x-9330000000-8674f1f30751437e8bf9 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9300000000-a9c7516230cc6b7166c1 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-053u-9100000000-bb369086fe31b624af6c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-056r-1900000000-491b535e4d4e3214438c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-9100000000-51f9fd3eeccf33a98c1c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000f-9000000000-d6a5f92f606e802c70be | 2021-09-22 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 389104 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C03740 |
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Pubchem Compound ID | 440103 |
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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 | HMDB06248 |
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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 | 1446127 |
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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 | show |
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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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