Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2009-03-03 10:25:52 UTC |
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Update Date | 2023-02-21 17:17:35 UTC |
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HMDB ID | HMDB0011733 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Glycyl-glycine |
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Description | The simplest peptide, made of two glycine molecules; used in the synthesis of more complicated peptides. Glycine is a simple, nonessential amino acid, although experimental animals show reduced growth on low-glycine diets. The average adult ingests 3 to 5 grams of glycine daily. Glycine is involved in the body's production of DNA, phospholipids and collagen, and in release of energy. Glycine levels are effectively measured in plasma in both normal patients and those with inborn errors of glycine metabolism. (http://www.dcnutrition.com/AminoAcids/) Nonketotic hyperglycinaemia (OMIM 606899 ) is an autosomal recessive condition caused by deficient enzyme activity of the glycine cleavage enzyme system (EC 2.1.1.10). The glycine cleavage enzyme system comprises four proteins: P-, T-, H- and L-proteins (EC 1.4.4.2, EC 2.1.2.10 and EC 1.8.1.4 for P-, T- and L-proteins). Mutations have been described in the GLDC (OMIM 238300 ), AMT (OMIM 238310 ), and GCSH (OMIM 238330 ) genes encoding the P-, T-, and H-proteins respectively. The glycine cleavage system catalyses the oxidative conversion of glycine into carbon dioxide and ammonia, with the remaining one-carbon unit transferred to folate as methylenetetrahydrofolate. It is the main catabolic pathway for glycine and it also contributes to one-carbon metabolism. Patients with a deficiency of this enzyme system have increased glycine in plasma, urine and cerebrospinal fluid (CSF) with an increased CSF: plasma glycine ratio. (PMID 16151895 ). |
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Structure | InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) |
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Synonyms | Value | Source |
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2-(Aminoacetamido)acetic acid | ChEBI | [(Aminoacetyl)amino]acetic acid | ChEBI | Gly-gly | ChEBI | Gly2 | ChEBI | Glycine dipeptide | ChEBI | N-Glycylglycine | ChEBI | 2-(Aminoacetamido)acetate | Generator | [(Aminoacetyl)amino]acetate | Generator | ((Aminoacetyl)amino)acetic acid | HMDB | alpha-Glycylglycine | HMDB | Diglycine | HMDB, MeSH | N-GLYCYL- glycine | HMDB | Glycylglycine hydrochloride | MeSH, HMDB | Glycyl glycine | MeSH, HMDB | Glycylglycine monohydrochloride | MeSH, HMDB | Hydrochloride, glycylglycine | MeSH, HMDB | Monohydrochloride, glycylglycine | MeSH, HMDB | N Glycylglycine | MeSH, HMDB | Glycyl-glycine | MeSH |
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Chemical Formula | C4H8N2O3 |
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Average Molecular Weight | 132.1179 |
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Monoisotopic Molecular Weight | 132.053492132 |
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IUPAC Name | 2-(2-aminoacetamido)acetic acid |
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Traditional Name | Gly-Gly |
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CAS Registry Number | 556-50-3 |
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SMILES | NCC(=O)NCC(O)=O |
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InChI Identifier | InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) |
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InChI Key | YMAWOPBAYDPSLA-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
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- Amino acid or derivatives
- Carboxamide group
- Amino acid
- Secondary carboxylic acid amide
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Primary aliphatic amine
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organopnictogen compound
- Amine
- Organic oxygen 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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Physiological effect | Not Available |
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Disposition | |
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Process | |
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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 | 215 °C | Not Available | Boiling Point | 453.24 °C. @ 760.00 mm Hg (est) | The Good Scents Company Information System | Water Solubility | 166 mg/mL at 21 °C | Not Available | LogP | -2.92 | HANSCH,C ET AL. (1995) |
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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-glycine,1TMS,isomer #1 | C[Si](C)(C)OC(=O)CNC(=O)CN | 1535.6 | Semi standard non polar | 33892256 | Glycyl-glycine,1TMS,isomer #2 | C[Si](C)(C)NCC(=O)NCC(=O)O | 1573.3 | Semi standard non polar | 33892256 | Glycyl-glycine,1TMS,isomer #3 | C[Si](C)(C)N(CC(=O)O)C(=O)CN | 1531.1 | Semi standard non polar | 33892256 | Glycyl-glycine,2TMS,isomer #1 | C[Si](C)(C)NCC(=O)NCC(=O)O[Si](C)(C)C | 1656.7 | Semi standard non polar | 33892256 | Glycyl-glycine,2TMS,isomer #1 | C[Si](C)(C)NCC(=O)NCC(=O)O[Si](C)(C)C | 1610.4 | Standard non polar | 33892256 | Glycyl-glycine,2TMS,isomer #1 | C[Si](C)(C)NCC(=O)NCC(=O)O[Si](C)(C)C | 2215.1 | Standard polar | 33892256 | Glycyl-glycine,2TMS,isomer #2 | C[Si](C)(C)OC(=O)CN(C(=O)CN)[Si](C)(C)C | 1540.8 | Semi standard non polar | 33892256 | Glycyl-glycine,2TMS,isomer #2 | C[Si](C)(C)OC(=O)CN(C(=O)CN)[Si](C)(C)C | 1638.2 | Standard non polar | 33892256 | Glycyl-glycine,2TMS,isomer #2 | C[Si](C)(C)OC(=O)CN(C(=O)CN)[Si](C)(C)C | 2303.7 | Standard polar | 33892256 | Glycyl-glycine,2TMS,isomer #3 | C[Si](C)(C)N(CC(=O)NCC(=O)O)[Si](C)(C)C | 1780.3 | Semi standard non polar | 33892256 | Glycyl-glycine,2TMS,isomer #3 | C[Si](C)(C)N(CC(=O)NCC(=O)O)[Si](C)(C)C | 1690.8 | Standard non polar | 33892256 | Glycyl-glycine,2TMS,isomer #3 | C[Si](C)(C)N(CC(=O)NCC(=O)O)[Si](C)(C)C | 2392.4 | Standard polar | 33892256 | Glycyl-glycine,2TMS,isomer #4 | C[Si](C)(C)NCC(=O)N(CC(=O)O)[Si](C)(C)C | 1653.6 | Semi standard non polar | 33892256 | Glycyl-glycine,2TMS,isomer #4 | C[Si](C)(C)NCC(=O)N(CC(=O)O)[Si](C)(C)C | 1697.9 | Standard non polar | 33892256 | Glycyl-glycine,2TMS,isomer #4 | C[Si](C)(C)NCC(=O)N(CC(=O)O)[Si](C)(C)C | 2084.6 | Standard polar | 33892256 | Glycyl-glycine,3TMS,isomer #1 | C[Si](C)(C)OC(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C | 1830.5 | Semi standard non polar | 33892256 | Glycyl-glycine,3TMS,isomer #1 | C[Si](C)(C)OC(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C | 1770.1 | Standard non polar | 33892256 | Glycyl-glycine,3TMS,isomer #1 | C[Si](C)(C)OC(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C | 1968.0 | Standard polar | 33892256 | Glycyl-glycine,3TMS,isomer #2 | C[Si](C)(C)NCC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C | 1643.8 | Semi standard non polar | 33892256 | Glycyl-glycine,3TMS,isomer #2 | C[Si](C)(C)NCC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C | 1724.2 | Standard non polar | 33892256 | Glycyl-glycine,3TMS,isomer #2 | C[Si](C)(C)NCC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C | 1857.4 | Standard polar | 33892256 | Glycyl-glycine,3TMS,isomer #3 | C[Si](C)(C)N(CC(=O)O)C(=O)CN([Si](C)(C)C)[Si](C)(C)C | 1790.4 | Semi standard non polar | 33892256 | Glycyl-glycine,3TMS,isomer #3 | C[Si](C)(C)N(CC(=O)O)C(=O)CN([Si](C)(C)C)[Si](C)(C)C | 1845.2 | Standard non polar | 33892256 | Glycyl-glycine,3TMS,isomer #3 | C[Si](C)(C)N(CC(=O)O)C(=O)CN([Si](C)(C)C)[Si](C)(C)C | 1959.5 | Standard polar | 33892256 | Glycyl-glycine,4TMS,isomer #1 | C[Si](C)(C)OC(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1810.7 | Semi standard non polar | 33892256 | Glycyl-glycine,4TMS,isomer #1 | C[Si](C)(C)OC(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1848.6 | Standard non polar | 33892256 | Glycyl-glycine,4TMS,isomer #1 | C[Si](C)(C)OC(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1779.7 | Standard polar | 33892256 | Glycyl-glycine,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN | 1767.8 | Semi standard non polar | 33892256 | Glycyl-glycine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)O | 1833.5 | Semi standard non polar | 33892256 | Glycyl-glycine,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN | 1752.4 | Semi standard non polar | 33892256 | Glycyl-glycine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C | 2117.9 | Semi standard non polar | 33892256 | Glycyl-glycine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C | 2013.0 | Standard non polar | 33892256 | Glycyl-glycine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C | 2253.9 | Standard polar | 33892256 | Glycyl-glycine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C | 1999.0 | Semi standard non polar | 33892256 | Glycyl-glycine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C | 2021.1 | Standard non polar | 33892256 | Glycyl-glycine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C | 2339.2 | Standard polar | 33892256 | Glycyl-glycine,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C | 2216.0 | Semi standard non polar | 33892256 | Glycyl-glycine,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C | 2065.3 | Standard non polar | 33892256 | Glycyl-glycine,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C | 2346.9 | Standard polar | 33892256 | Glycyl-glycine,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C | 2123.6 | Semi standard non polar | 33892256 | Glycyl-glycine,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C | 2068.5 | Standard non polar | 33892256 | Glycyl-glycine,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C | 2210.4 | Standard polar | 33892256 | Glycyl-glycine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2449.7 | Semi standard non polar | 33892256 | Glycyl-glycine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2341.7 | Standard non polar | 33892256 | Glycyl-glycine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2236.5 | Standard polar | 33892256 | Glycyl-glycine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2322.5 | Semi standard non polar | 33892256 | Glycyl-glycine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2304.2 | Standard non polar | 33892256 | Glycyl-glycine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2208.1 | Standard polar | 33892256 | Glycyl-glycine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2426.3 | Semi standard non polar | 33892256 | Glycyl-glycine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2379.1 | Standard non polar | 33892256 | Glycyl-glycine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2255.2 | Standard polar | 33892256 | Glycyl-glycine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2636.4 | Semi standard non polar | 33892256 | Glycyl-glycine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2585.4 | Standard non polar | 33892256 | Glycyl-glycine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2248.4 | Standard polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - Glycyl-glycine GC-MS (4 TMS) | splash10-00di-2910000000-ba948ec1f3049dba6890 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Glycyl-glycine GC-MS (3 TMS) | splash10-00di-2900000000-91132b8ff819b3ae47dc | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Glycyl-glycine EI-B (Non-derivatized) | splash10-001i-9000000000-e81c9e2483d01587c1bd | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Glycyl-glycine EI-B (Non-derivatized) | splash10-001i-9000000000-156d6e678bff48157df2 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Glycyl-glycine GC-EI-TOF (Non-derivatized) | splash10-00di-1900000000-4cc7d622d8302ea78998 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Glycyl-glycine GC-EI-TOF (Non-derivatized) | splash10-00di-1910000000-4b3d1fa3d216c551cb12 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Glycyl-glycine GC-EI-TOF (Non-derivatized) | splash10-00di-1900000000-588aa5f9b282e25fb005 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Glycyl-glycine GC-EI-TOF (Non-derivatized) | splash10-00di-9700000000-de41939f179394ca4fd9 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Glycyl-glycine GC-EI-TOF (Non-derivatized) | splash10-00di-9800000000-6a5f2500f08c12371f1f | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Glycyl-glycine GC-MS (Non-derivatized) | splash10-00di-2910000000-ba948ec1f3049dba6890 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Glycyl-glycine GC-MS (Non-derivatized) | splash10-00di-2900000000-91132b8ff819b3ae47dc | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-glycine GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a59-9000000000-8abf1a0641d024ca8310 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-glycine GC-MS (1 TMS) - 70eV, Positive | splash10-05a9-9100000000-7a4991aa2e80bb0b6709 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-glycine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycyl-glycine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | 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-glycine LC-ESI-QQ , negative-QTOF | splash10-001i-0900000000-ed69bb1a3dbb10d0d5e8 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine LC-ESI-QQ , negative-QTOF | splash10-00dr-9100000000-d1fb7ab0c1ba8cc65835 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine LC-ESI-QQ , negative-QTOF | splash10-00di-9000000000-7ba83a3b96d2fc869ebe | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine LC-ESI-QQ , negative-QTOF | splash10-00di-9000000000-6173af951359b504bcd8 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine LC-ESI-QQ , negative-QTOF | splash10-0006-9000000000-939e8bb535cf95146346 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine LC-ESI-QTOF , negative-QTOF | splash10-008i-9800000000-bda55e81f5401b1bf95f | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine LC-ESI-QQ , positive-QTOF | splash10-003r-6900000000-086c493e2bef9931c65e | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine LC-ESI-QQ , positive-QTOF | splash10-004i-9000000000-6446e10ba29e02e8889d | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine LC-ESI-QQ , positive-QTOF | splash10-004i-9000000000-414da3e4ba078845db83 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine LC-ESI-QQ , positive-QTOF | splash10-004i-9000000000-838fb02e1a4a51356aac | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine LC-ESI-QQ , positive-QTOF | splash10-01b9-9000000000-2dce65916bdcc5799b7b | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine LC-ESI-QTOF , positive-QTOF | splash10-001i-0900000000-7bab12a2074040375089 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine 20V, Positive-QTOF | splash10-004i-9000000000-60572175e58a269c21cb | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine 40V, Positive-QTOF | splash10-0006-9000000000-5b0b47aadbc64a0c0893 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine 10V, Positive-QTOF | splash10-004i-9000000000-6dbb65e50eeae6f5b11c | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine 10V, Positive-QTOF | splash10-004i-9000000000-52dc384d9194cbfb6b46 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine 10V, Negative-QTOF | splash10-05g0-9100000000-0294e692c3988bae4d9b | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine 20V, Negative-QTOF | splash10-05g0-9000000000-a23bc0b136ea4bdb90d8 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycyl-glycine 20V, Positive-QTOF | splash10-004i-9000000000-3b2fa1da47acfdc57b65 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-glycine 10V, Positive-QTOF | splash10-001i-9500000000-5bb432a63f09472025a8 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-glycine 20V, Positive-QTOF | splash10-00gi-9000000000-985944270c18616f5da3 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-glycine 40V, Positive-QTOF | splash10-05e9-9000000000-4ad263a0b78114d654fd | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-glycine 10V, Negative-QTOF | splash10-001i-4900000000-c1e049bc22bd20fc2b12 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-glycine 20V, Negative-QTOF | splash10-0089-9500000000-1039b99bd3cc506dcfdb | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycyl-glycine 40V, Negative-QTOF | splash10-0abc-9100000000-1cf10876a736a8090b01 | 2016-08-03 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Experimental 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | 2021-10-10 | Wishart Lab | View Spectrum | Experimental 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | 2021-10-10 | Wishart Lab | View Spectrum | Experimental 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 500 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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Disease References | Prostate cancer |
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- Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
| 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 ]
| Cystic fibrosis |
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- Adriana Nori de Macedo. Robust capillary electrophoresis methods for biomarker discovery and routine measurements in clinical and epidemiological applications. March 2017 [Link]
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