| Record Information |
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| Version | 2.0 |
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| Created at | 2022-05-12 15:21:15 UTC |
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| Updated at | 2022-05-12 15:21:15 UTC |
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| NP-MRD ID | NP0136700 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Tyrosyl-Gamma-glutamate |
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| Description | Tyrosyl-Gamma-glutamate, also known as y-ge dipeptide or tyrosyl-g-glutamic acid, belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Tyrosyl-Gamma-glutamate is a very strong basic compound (based on its pKa). It is an incomplete breakdown product of protein digestion or protein catabolism. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite. Tyrosyl-Gamma-glutamate is a dipeptide composed of tyrosine and gamma-glutamate. |
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| Structure | NC(CCC(=O)NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C14H19N3O5/c15-10(14(21)22)5-6-12(19)17-13(20)11(16)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15-16H2,(H,21,22)(H,17,19,20) |
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| Synonyms | | Value | Source |
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| Tyrosyl-g-glutamate | Generator | | Tyrosyl-g-glutamic acid | Generator | | Tyrosyl-gamma-glutamic acid | Generator | | Tyrosyl-γ-glutamate | Generator | | Tyrosyl-γ-glutamic acid | Generator | | L-Tyrosyl-L-gamma-glutamate | HMDB | | Tyr-gglu | HMDB | | Tyrosine gamma-glutamate dipeptide | HMDB | | Tyrosine-gamma-glutamate dipeptide | HMDB | | Tyrosylgamma-glutamate | HMDB | | Y-ge dipeptide | HMDB | | YGE dipeptide | HMDB | | 2-Amino-4-{[2-amino-3-(4-hydroxyphenyl)propanoyl]-C-hydroxycarbonimidoyl}butanoate | Generator |
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| Chemical Formula | C14H19N3O5 |
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| Average Mass | 309.3178 Da |
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| Monoisotopic Mass | 309.13247 Da |
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| IUPAC Name | 2-amino-5-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-oxopentanoic acid |
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| Traditional Name | 2-amino-5-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-oxopentanoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | NC(CCC(=O)NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O |
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| InChI Identifier | InChI=1S/C14H19N3O5/c15-10(14(21)22)5-6-12(19)17-13(20)11(16)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15-16H2,(H,21,22)(H,17,19,20) |
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| InChI Key | NHXCEHCKISFORA-UHFFFAOYSA-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 | Not Available |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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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 | Tyrosine and derivatives |
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| Alternative Parents | |
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| Substituents | - Tyrosine or derivatives
- Phenylalanine or derivatives
- Glutamine or derivatives
- Alpha-amino acid amide
- Alpha-amino acid
- Amphetamine or derivatives
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Aralkylamine
- Monocyclic benzene moiety
- N-acyl-amine
- Benzenoid
- Carboxylic acid imide
- Dicarboximide
- Carboxylic acid imide, n-unsubstituted
- Amino acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organonitrogen compound
- Amine
- Primary aliphatic amine
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Primary amine
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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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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