Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2012-09-06 21:02:43 UTC |
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Update Date | 2021-09-14 15:43:51 UTC |
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HMDB ID | HMDB0028844 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Glycyl-Isoleucine |
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Description | Glycyl-Isoleucine is a dipeptide composed of glycine and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite. |
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Structure | InChI=1S/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13) |
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Synonyms | Value | Source |
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g-I dipeptide | HMDB | GI dipeptide | HMDB | Gly-ile | HMDB | Glycine isoleucine dipeptide | HMDB | Glycine-isoleucine dipeptide | HMDB | Glycylisoleucine | HMDB | L-Glycyl-L-isoleucine | HMDB | 2-[(2-Amino-1-hydroxyethylidene)amino]-3-methylpentanoate | HMDB |
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Chemical Formula | C8H16N2O3 |
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Average Molecular Weight | 188.2242 |
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Monoisotopic Molecular Weight | 188.116092388 |
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IUPAC Name | 2-[(2-amino-1-hydroxyethylidene)amino]-3-methylpentanoic acid |
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Traditional Name | 2-[(2-amino-1-hydroxyethylidene)amino]-3-methylpentanoic acid |
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CAS Registry Number | Not Available |
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SMILES | CCC(C)C(N=C(O)CN)C(O)=O |
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InChI Identifier | InChI=1S/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13) |
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InChI Key | KGVHCTWYMPWEGN-UHFFFAOYSA-N |
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Chemical Taxonomy |
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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
- Isoleucine or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- Branched fatty acid
- Methyl-branched fatty acid
- Fatty acyl
- Fatty acid
- Amino acid or derivatives
- Carboxamide group
- Amino acid
- Secondary carboxylic acid amide
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organonitrogen compound
- Organic oxygen compound
- Organic oxide
- Primary aliphatic amine
- Organic nitrogen compound
- Carbonyl group
- Organopnictogen compound
- Organooxygen compound
- Primary amine
- Amine
- Hydrocarbon derivative
- 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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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular 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 | -2.62 | Extrapolated |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Glycyl-Isoleucine,1TMS,isomer #1 | CCC(C)C(N=C(CN)O[Si](C)(C)C)C(=O)O | 1703.6 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,1TMS,isomer #2 | CCC(C)C(N=C(O)CN)C(=O)O[Si](C)(C)C | 1705.1 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,1TMS,isomer #3 | CCC(C)C(N=C(O)CN[Si](C)(C)C)C(=O)O | 1797.4 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,2TMS,isomer #1 | CCC(C)C(N=C(CN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1737.4 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,2TMS,isomer #2 | CCC(C)C(N=C(CN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O | 1788.1 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,2TMS,isomer #3 | CCC(C)C(N=C(O)CN[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1796.7 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,2TMS,isomer #4 | CCC(C)C(N=C(O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O | 1944.5 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,3TMS,isomer #1 | CCC(C)C(N=C(CN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1785.0 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,3TMS,isomer #1 | CCC(C)C(N=C(CN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1761.2 | Standard non polar | 33892256 | Glycyl-Isoleucine,3TMS,isomer #2 | CCC(C)C(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O | 1974.4 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,3TMS,isomer #2 | CCC(C)C(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O | 1839.1 | Standard non polar | 33892256 | Glycyl-Isoleucine,3TMS,isomer #3 | CCC(C)C(N=C(O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1950.2 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,3TMS,isomer #3 | CCC(C)C(N=C(O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1852.2 | Standard non polar | 33892256 | Glycyl-Isoleucine,4TMS,isomer #1 | CCC(C)C(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1999.9 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,4TMS,isomer #1 | CCC(C)C(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1882.3 | Standard non polar | 33892256 | Glycyl-Isoleucine,1TBDMS,isomer #1 | CCC(C)C(N=C(CN)O[Si](C)(C)C(C)(C)C)C(=O)O | 1962.8 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,1TBDMS,isomer #2 | CCC(C)C(N=C(O)CN)C(=O)O[Si](C)(C)C(C)(C)C | 1927.6 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,1TBDMS,isomer #3 | CCC(C)C(N=C(O)CN[Si](C)(C)C(C)(C)C)C(=O)O | 2020.8 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,2TBDMS,isomer #1 | CCC(C)C(N=C(CN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2138.4 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,2TBDMS,isomer #2 | CCC(C)C(N=C(CN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O | 2224.1 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,2TBDMS,isomer #3 | CCC(C)C(N=C(O)CN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2213.0 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,2TBDMS,isomer #4 | CCC(C)C(N=C(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O | 2317.7 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,3TBDMS,isomer #1 | CCC(C)C(N=C(CN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2374.9 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,3TBDMS,isomer #1 | CCC(C)C(N=C(CN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2259.2 | Standard non polar | 33892256 | Glycyl-Isoleucine,3TBDMS,isomer #2 | CCC(C)C(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O | 2581.9 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,3TBDMS,isomer #2 | CCC(C)C(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O | 2334.5 | Standard non polar | 33892256 | Glycyl-Isoleucine,3TBDMS,isomer #3 | CCC(C)C(N=C(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2548.6 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,3TBDMS,isomer #3 | CCC(C)C(N=C(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2411.3 | Standard non polar | 33892256 | Glycyl-Isoleucine,4TBDMS,isomer #1 | CCC(C)C(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2802.2 | Semi standard non polar | 33892256 | Glycyl-Isoleucine,4TBDMS,isomer #1 | CCC(C)C(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2574.4 | Standard non polar | 33892256 |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a59-9100000000-9c647107deed5af4492f | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (1 TMS) - 70eV, Positive | splash10-053r-9100000000-d279f5718e9f8d48aca1 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_2_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_2_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_2_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-Isoleucine 35V, Positive-QTOF | splash10-000i-9000000000-679dfc19e16aa17ee53f | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-Isoleucine 35V, Negative-QTOF | splash10-001i-1900000000-3eb2a749181db44d90e0 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-Isoleucine 10V, Positive-QTOF | splash10-0083-4900000000-726e0375f6fe96718333 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-Isoleucine 20V, Positive-QTOF | splash10-0540-9200000000-6a8f912ec890d1c68236 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-Isoleucine 40V, Positive-QTOF | splash10-053r-9000000000-d0beacb1ff970fd1b0e0 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-Isoleucine 10V, Negative-QTOF | splash10-000i-0900000000-675c643d7c6adcbb0777 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-Isoleucine 20V, Negative-QTOF | splash10-000l-2900000000-ded8fa2be3ebc397c591 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-Isoleucine 40V, Negative-QTOF | splash10-059x-9200000000-20b8f643a679a45e560a | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-Isoleucine 10V, Positive-QTOF | splash10-000i-0900000000-634043492308cc21320f | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-Isoleucine 20V, Positive-QTOF | splash10-001i-9700000000-758ed2c0566da5ecbd5e | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-Isoleucine 40V, Positive-QTOF | splash10-0a4i-9000000000-cae25c6f39d13e82fb6c | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-Isoleucine 10V, Negative-QTOF | splash10-053r-7900000000-ac9c19dd6433e32e4550 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-Isoleucine 20V, Negative-QTOF | splash10-0a4i-9200000000-5eb879b3925ac1fe3b51 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-Isoleucine 40V, Negative-QTOF | splash10-052f-9100000000-7e8c8edb411fce913d37 | 2021-10-11 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | Not Available |
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Biospecimen Locations | |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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Feces | Detected but not Quantified | Not Quantified | Not Specified | Both | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details |
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Abnormal Concentrations |
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Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Colorectal Cancer | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Colorectal cancer | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Colorectal cancer | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Periodontal Probing Depth | | details |
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Associated Disorders and Diseases |
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Disease References | Colorectal cancer |
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- Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
- Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
- Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
| Periodontal Probing Depth |
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- Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
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Associated OMIM IDs | |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB098410 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 227861 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 259613 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Nath M, Pokharia S, Eng G, Song X, Kumar A: New triorganotin (IV) derivatives of dipeptides as models for metal-protein interactions: synthesis, structural characterization and biological studies. Spectrochim Acta A Mol Biomol Spectrosc. 2006 Jan;63(1):66-75. Epub 2005 Jun 9. [PubMed:15950528 ]
- Suh HJ, Lee HK: Characterization of a keratinolytic serine protease from Bacillus subtilis KS-1. J Protein Chem. 2001 Feb;20(2):165-9. [PubMed:11563697 ]
- Steinberg S, Bada JL: Diketopiperazine formation during investigations of amino Acid racemization in dipeptides. Science. 1981 Jul 31;213(4507):544-5. [PubMed:17794841 ]
- Steininger R, Karner J, Roth E, Langer K: Infusion of dipeptides as nutritional substrates for glutamine, tyrosine, and branched-chain amino acids in patients with acute pancreatitis. Metabolism. 1989 Aug;38(8 Suppl 1):78-81. [PubMed:2503685 ]
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