Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 01:31:09 UTC |
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Update date | 2015-07-21 06:59:15 UTC |
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Primary ID | FDB027866 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | gamma-Glutamyl-Se-methylselenocysteine |
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Description | Gamma-Glutamyl-Se-methylselenocysteine, also known as gamma-glutamyl-semc or GGMSC CPD, 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. Gamma-Glutamyl-Se-methylselenocysteine is a very strong basic compound (based on its pKa). Gamma-Glutamyl-Se-methylselenocysteine exists in all living organisms, ranging from bacteria to humans. |
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CAS Number | Not Available |
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Structure | |
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Synonyms | Synonym | Source |
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g-Glutamyl-se-methylselenocysteine | Generator | Γ-glutamyl-se-methylselenocysteine | Generator | 5-Glutamyl-se-methylselenocysteine | HMDB | gamma-Glutamyl-semc | HMDB | g-Glutamyl-semc | HMDB | Γ-glutamyl-semc | HMDB | GGMSC CPD | HMDB | Glutamyl-se-methylselenocysteine | HMDB |
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Predicted Properties | |
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Chemical Formula | C9H16N2O5Se |
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IUPAC name | 2-amino-4-{[1-carboxy-2-(methylselanyl)ethyl]carbamoyl}butanoic acid |
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InChI Identifier | InChI=1S/C9H16N2O5Se/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16) |
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InChI Key | IEFQLTYCECVOLL-UHFFFAOYSA-N |
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Isomeric SMILES | C[Se]CC(NC(=O)CCC(N)C(O)=O)C(O)=O |
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Average Molecular Weight | 311.19 |
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Monoisotopic Molecular Weight | 312.02244346 |
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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-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid
- Alpha-amino acid or derivatives
- Dicarboxylic acid or derivatives
- Fatty acyl
- Fatty acid
- Fatty amide
- N-acyl-amine
- Amino acid or derivatives
- Carboxamide group
- Amino acid
- Secondary carboxylic acid amide
- Carboxylic acid
- Selenoether
- Organoselenium compound
- Primary aliphatic amine
- Primary amine
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organopnictogen compound
- Amine
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- 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 | Source: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Solid | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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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-Glutamyl-Se-methylselenocysteine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-008c-9740000000-59b05b3c41baff554d50 | Spectrum | Predicted GC-MS | gamma-Glutamyl-Se-methylselenocysteine, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-006x-9130300000-6ae8a4d0acc8b62f29dc | Spectrum | Predicted GC-MS | gamma-Glutamyl-Se-methylselenocysteine, 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 | splash10-03xr-1296000000-1d76833e7a815a1b8807 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-02u1-2982000000-41d26e3850f274bc393c | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9400000000-aa045eef0147244c51e6 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-01ox-7497000000-03ab4fa2f97826043d01 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-006y-4891000000-d87db74e9334bc8899f6 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-006x-9200000000-d18080502bbbf808125a | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0029000000-5ac8065da136bd2d4be5 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-9642000000-640c0404517d357aa62a | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9200000000-c463593b6c4e06750fb1 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03e9-0519000000-c64d1d10430502077b7f | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-5910000000-7c18554e94b7bb113d02 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9800000000-93fde66ebaf182a70008 | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 389629 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C05695 |
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Pubchem Compound ID | 440760 |
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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 | HMDB10716 |
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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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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Name | Gene Name | UniProt ID |
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Gamma-glutamyltranspeptidase 1 | GGT1 | P19440 | Gamma-glutamyltransferase 7 | GGT7 | Q9UJ14 | Gamma-glutamyltransferase 6 | GGT6 | Q6P531 | Gamma-glutamyltransferase 5 | GGT5 | P36269 |
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Pathways | |
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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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