Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2005-11-16 15:48:42 UTC |
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Update Date | 2023-02-21 17:15:09 UTC |
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HMDB ID | HMDB0000759 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Glycylleucine |
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Description | Glycylleucine, also known as GL or leucylglycine, 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. Glycylleucine has been detected, but not quantified in, several different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), domestic pigs (Sus scrofa domestica), and milk (cow). This could make glycylleucine a potential biomarker for the consumption of these foods. Glycylleucine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Glycylleucine. |
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Structure | CC(C)C[C@H](NC(=O)CN)C(O)=O InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1 |
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Synonyms | Value | Source |
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G-L | ChEBI | GL | ChEBI | Gly-L-leu | ChEBI | Glycyl-L-leucine | ChEBI | Glycyl-leucine | HMDB | N-Glycyl-L-leucine | HMDB | Leucylglycine | HMDB | Leu-gly | HMDB | Glycylleucine, (D)-isomer | HMDB | Gly-leu | HMDB | g-L Dipeptide | HMDB | GL Dipeptide | HMDB | Glycine leucine dipeptide | HMDB | Glycine-leucine dipeptide | HMDB | N-Glycylleucine | HMDB | NSC 83257 | HMDB | Glycylleucine | ChEBI |
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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 | (2S)-2-(2-aminoacetamido)-4-methylpentanoic acid |
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Traditional Name | glycyl-L-leucine |
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CAS Registry Number | 869-19-2 |
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SMILES | CC(C)C[C@H](NC(=O)CN)C(O)=O |
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InChI Identifier | InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1 |
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InChI Key | DKEXFJVMVGETOO-LURJTMIESA-N |
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Chemical Taxonomy |
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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
- Leucine or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid or derivatives
- Branched fatty acid
- Methyl-branched fatty acid
- Fatty acyl
- Fatty acid
- Amino acid or derivatives
- Amino acid
- Carboximidic acid
- Carboximidic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Organic oxide
- Organic oxygen compound
- Primary aliphatic amine
- Amine
- Organic nitrogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Organooxygen compound
- Organopnictogen compound
- Primary amine
- Carbonyl group
- 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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Physiological effect | |
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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 | 233 - 235 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Experimental Collision Cross Sections |
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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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Glycylleucine,1TMS,isomer #1 | CC(C)C[C@H](NC(=O)CN)C(=O)O[Si](C)(C)C | 1657.7 | Semi standard non polar | 33892256 | Glycylleucine,1TMS,isomer #2 | CC(C)C[C@H](NC(=O)CN[Si](C)(C)C)C(=O)O | 1724.9 | Semi standard non polar | 33892256 | Glycylleucine,1TMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN)[Si](C)(C)C | 1663.0 | Semi standard non polar | 33892256 | Glycylleucine,2TMS,isomer #1 | CC(C)C[C@H](NC(=O)CN[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1769.7 | Semi standard non polar | 33892256 | Glycylleucine,2TMS,isomer #1 | CC(C)C[C@H](NC(=O)CN[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1720.6 | Standard non polar | 33892256 | Glycylleucine,2TMS,isomer #1 | CC(C)C[C@H](NC(=O)CN[Si](C)(C)C)C(=O)O[Si](C)(C)C | 2264.2 | Standard polar | 33892256 | Glycylleucine,2TMS,isomer #2 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C | 1662.6 | Semi standard non polar | 33892256 | Glycylleucine,2TMS,isomer #2 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C | 1698.8 | Standard non polar | 33892256 | Glycylleucine,2TMS,isomer #2 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C | 2453.7 | Standard polar | 33892256 | Glycylleucine,2TMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C | 1758.9 | Semi standard non polar | 33892256 | Glycylleucine,2TMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C | 1776.0 | Standard non polar | 33892256 | Glycylleucine,2TMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C | 2242.8 | Standard polar | 33892256 | Glycylleucine,2TMS,isomer #4 | CC(C)C[C@H](NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O | 1899.6 | Semi standard non polar | 33892256 | Glycylleucine,2TMS,isomer #4 | CC(C)C[C@H](NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O | 1819.0 | Standard non polar | 33892256 | Glycylleucine,2TMS,isomer #4 | CC(C)C[C@H](NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O | 2428.7 | Standard polar | 33892256 | Glycylleucine,3TMS,isomer #1 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C | 1768.1 | Semi standard non polar | 33892256 | Glycylleucine,3TMS,isomer #1 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C | 1835.3 | Standard non polar | 33892256 | Glycylleucine,3TMS,isomer #1 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C | 1978.6 | Standard polar | 33892256 | Glycylleucine,3TMS,isomer #2 | CC(C)C[C@H](NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1913.9 | Semi standard non polar | 33892256 | Glycylleucine,3TMS,isomer #2 | CC(C)C[C@H](NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1887.3 | Standard non polar | 33892256 | Glycylleucine,3TMS,isomer #2 | CC(C)C[C@H](NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C | 2097.0 | Standard polar | 33892256 | Glycylleucine,3TMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1900.9 | Semi standard non polar | 33892256 | Glycylleucine,3TMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1924.1 | Standard non polar | 33892256 | Glycylleucine,3TMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 2145.7 | Standard polar | 33892256 | Glycylleucine,4TMS,isomer #1 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1949.7 | Semi standard non polar | 33892256 | Glycylleucine,4TMS,isomer #1 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1978.5 | Standard non polar | 33892256 | Glycylleucine,4TMS,isomer #1 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1907.2 | Standard polar | 33892256 | Glycylleucine,1TBDMS,isomer #1 | CC(C)C[C@H](NC(=O)CN)C(=O)O[Si](C)(C)C(C)(C)C | 1910.0 | Semi standard non polar | 33892256 | Glycylleucine,1TBDMS,isomer #2 | CC(C)C[C@H](NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)O | 1956.1 | Semi standard non polar | 33892256 | Glycylleucine,1TBDMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C | 1898.5 | Semi standard non polar | 33892256 | Glycylleucine,2TBDMS,isomer #1 | CC(C)C[C@H](NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2189.7 | Semi standard non polar | 33892256 | Glycylleucine,2TBDMS,isomer #1 | CC(C)C[C@H](NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2130.7 | Standard non polar | 33892256 | Glycylleucine,2TBDMS,isomer #1 | CC(C)C[C@H](NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2389.4 | Standard polar | 33892256 | Glycylleucine,2TBDMS,isomer #2 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C | 2122.8 | Semi standard non polar | 33892256 | Glycylleucine,2TBDMS,isomer #2 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C | 2082.7 | Standard non polar | 33892256 | Glycylleucine,2TBDMS,isomer #2 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C | 2524.5 | Standard polar | 33892256 | Glycylleucine,2TBDMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2216.7 | Semi standard non polar | 33892256 | Glycylleucine,2TBDMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2153.6 | Standard non polar | 33892256 | Glycylleucine,2TBDMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2392.6 | Standard polar | 33892256 | Glycylleucine,2TBDMS,isomer #4 | CC(C)C[C@H](NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O | 2323.5 | Semi standard non polar | 33892256 | Glycylleucine,2TBDMS,isomer #4 | CC(C)C[C@H](NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O | 2176.8 | Standard non polar | 33892256 | Glycylleucine,2TBDMS,isomer #4 | CC(C)C[C@H](NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O | 2505.1 | Standard polar | 33892256 | Glycylleucine,3TBDMS,isomer #1 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2436.9 | Semi standard non polar | 33892256 | Glycylleucine,3TBDMS,isomer #1 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2395.1 | Standard non polar | 33892256 | Glycylleucine,3TBDMS,isomer #1 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2355.5 | Standard polar | 33892256 | Glycylleucine,3TBDMS,isomer #2 | CC(C)C[C@H](NC(=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 | 2559.4 | Semi standard non polar | 33892256 | Glycylleucine,3TBDMS,isomer #2 | CC(C)C[C@H](NC(=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 | 2434.0 | Standard non polar | 33892256 | Glycylleucine,3TBDMS,isomer #2 | CC(C)C[C@H](NC(=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 | 2394.7 | Standard polar | 33892256 | Glycylleucine,3TBDMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2559.2 | Semi standard non polar | 33892256 | Glycylleucine,3TBDMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2455.2 | Standard non polar | 33892256 | Glycylleucine,3TBDMS,isomer #3 | CC(C)C[C@@H](C(=O)O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2436.6 | Standard polar | 33892256 | Glycylleucine,4TBDMS,isomer #1 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2786.3 | Semi standard non polar | 33892256 | Glycylleucine,4TBDMS,isomer #1 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2687.4 | Standard non polar | 33892256 | Glycylleucine,4TBDMS,isomer #1 | CC(C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2388.5 | Standard 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 - Glycylleucine GC-MS (Non-derivatized) - 70eV, Positive | splash10-0536-9100000000-2d9e815e0054e9da48f6 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycylleucine GC-MS (1 TMS) - 70eV, Positive | splash10-0fef-9820000000-d05caf4a1ea9eb5ddf88 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycylleucine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycylleucine GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycylleucine GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycylleucine GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycylleucine GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycylleucine GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | 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 - Glycylleucine Quattro_QQQ 10V, Positive-QTOF (Annotated) | splash10-0016-1900000000-a852c69819cf24f4e741 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine Quattro_QQQ 25V, Positive-QTOF (Annotated) | splash10-000i-9000000000-b162700f9bcc75357713 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine Quattro_QQQ 40V, Positive-QTOF (Annotated) | splash10-000f-9000000000-5cd918e7e11bfce7be57 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOF | splash10-000i-0900000000-541d9e8d735cd6e426eb | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOF | splash10-001u-0900000000-5bca6608db38d3ad7553 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOF | splash10-001i-3900000000-8b68a3411c22d0adc0b4 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOF | splash10-00e9-9500000000-6e99a1c2936e770f9424 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOF | splash10-00di-9000000000-9271b05afa978548360d | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOF | splash10-000i-0900000000-727fca50027e24ece915 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOF | splash10-0019-9800000000-955d0cb4dc730f98f2b6 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOF | splash10-000i-9000000000-dc63ae2d4fc2193e80f2 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOF | splash10-000i-9000000000-eab8ffe1748c1c1c95a2 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOF | splash10-000f-9100000000-c6da64dfa236dbcb2575 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ , negative-QTOF | splash10-000i-0900000000-541d9e8d735cd6e426eb | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ , negative-QTOF | splash10-001u-0900000000-5bca6608db38d3ad7553 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ , negative-QTOF | splash10-001i-3900000000-8b68a3411c22d0adc0b4 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ , negative-QTOF | splash10-00e9-9500000000-d2ee0ebfb6482a620efc | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ , negative-QTOF | splash10-00di-9000000000-9271b05afa978548360d | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycylleucine LC-ESI-QQ , positive-QTOF | splash10-000i-0900000000-727fca50027e24ece915 | 2017-09-14 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycylleucine 10V, Positive-QTOF | splash10-0080-4900000000-6629cecf75f784eab2f3 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycylleucine 20V, Positive-QTOF | splash10-0540-9200000000-dc1b53115a8072ea3b92 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycylleucine 40V, Positive-QTOF | splash10-0a59-9000000000-07147f8e5f9cc61d073e | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycylleucine 10V, Negative-QTOF | splash10-000i-0900000000-c96c0078487b0e492996 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycylleucine 20V, Negative-QTOF | splash10-007c-3900000000-818ae37e2406000cf7c7 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycylleucine 40V, Negative-QTOF | splash10-0006-9200000000-b8f8394c4b0eda9203c1 | 2017-09-01 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Experimental 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | 2012-12-04 | Wishart Lab | View Spectrum | Experimental 1D NMR | 13C NMR Spectrum (1D, 400 MHz, H2O, experimental) | 2021-10-10 | Wishart Lab | View Spectrum | Experimental 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | 2012-12-05 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-03 | FELIX lab | View Spectrum |
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Biological Properties |
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Cellular Locations | - Extracellular
- Mitochondria
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Biospecimen Locations | |
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Tissue Locations | |
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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 and Quantified | 0.00296 +/- 0.0145 uM | Adult (>18 years old) | Female | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected and Quantified | 0.918 +/- 1.35 uM | 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 | Urine | Detected and Quantified | 0.07 umol/mmol creatinine | Adult (>18 years old) | Both | Normal | | details | Urine | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details |
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Abnormal Concentrations |
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Blood | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Cancer patients undergoing total body irradiation | | 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 | 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 | FDB022228 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 83812 |
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KEGG Compound ID | C02155 |
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BioCyc ID | CPD-12312 |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | 5727 |
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PubChem Compound | 92843 |
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PDB ID | Not Available |
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ChEBI ID | 73514 |
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Food Biomarker Ontology | Not Available |
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VMH ID | GLYLEU |
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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 | Bolster J M; Vaalburg W; Elsinga P H; Woldring M G; Wynberg H Synthesis of carbon-11 labelled glycine and the dipeptides L-phenylalanylglycine and L-leucylglycine. International journal of radiation applications and instrumentation. Part A, Applied radiation and isotopes (1986), 37(9), 985-7. |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Thompson JA, Markey SP, Fennessey PV: Gas-chromatographic/mass-spectrometric identification and quantitation of tetronic and deoxytetronic acids in urine from normal adults and neonates. Clin Chem. 1975 Dec;21(13):1892-8. [PubMed:1192581 ]
- Smirnov KV, Syrykh GD, Legen'kov VI, Goland-Ruvinova LG, Medkova IL: [Digestive system status after prolonged space flights]. Kosm Biol Aviakosm Med. 1982 Mar-Apr;16(2):19-22. [PubMed:7070032 ]
- Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
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