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 17:14:32 UTC |
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HMDB ID | HMDB0000126 |
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Secondary Accession Numbers | - HMDB0002722
- HMDB00126
- HMDB02722
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Metabolite Identification |
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Common Name | Glycerol 3-phosphate |
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Description | Glycerol 3-phosphate is a chemical intermediate in the glycolysis metabolic pathway. It is commonly confused with the similarly named glycerate 3-phosphate or glyceraldehyde 3-phosphate. Glycerol 3-phosphate is produced from glycerol, the triose sugar backbone of triglycerides and glycerophospholipids, by the enzyme glycerol kinase. Glycerol 3-phospate may then be converted by dehydrogenation to dihydroxyacetone phosphate (DHAP) by the enzyme glycerol-3-phosphate dehydrogenase. DHAP can then be rearranged into glyceraldehyde 3-phosphate (GA3P) by triose phosphate isomerase (TIM), and feed into glycolysis. The glycerol 3-phosphate shuttle is used to rapidly regenerate NAD+ in the brain and skeletal muscle cells of mammals (wikipedia). |
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Structure | InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1 |
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Synonyms | Value | Source |
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(R)-Glycerol 1-phosphate | ChEBI | D-(Glycerol 1-phosphate) | ChEBI | D-Glycerol 1-phosphate | ChEBI | Glycerol-3-phosphate | ChEBI | Glycerophosphoric acid | ChEBI | L-(Glycerol 3-phosphate) | ChEBI | Phosphoric acid mono-((R)-2,3-dihydroxy-propyl) ester | ChEBI | Phosphorsaeure-mono-((R)-2,3-dihydroxy-propylester) | ChEBI | sn-GLYCEROL-3-phosphATE | ChEBI | sn-Gro-1-p | ChEBI | (R)-Glycerol 1-phosphoric acid | Generator | D-(Glycerol 1-phosphoric acid) | Generator | D-Glycerol 1-phosphoric acid | Generator | Glycerol-3-phosphoric acid | Generator | Glycerophosphate | Generator | L-(Glycerol 3-phosphoric acid) | Generator | Phosphate mono-((R)-2,3-dihydroxy-propyl) ester | Generator | sn-GLYCEROL-3-phosphoric acid | Generator | Glycerol 3-phosphoric acid | Generator | 1-(Dihydrogen phosphate) glycerol | HMDB | 1-Glycerophosphate | HMDB | 1-Glycerophosphorate | HMDB | 1-Glycerophosphoric acid | HMDB | 3-Glycerophosphate | HMDB | a-Glycerophosphate | HMDB | a-Glycerophosphorate | HMDB | a-Glycerophosphoric acid | HMDB | a-Phosphoglycerol | HMDB | alpha-Glycerophosphate | HMDB | alpha-Glycerophosphorate | HMDB | alpha-Glycerophosphoric acid | HMDB | alpha-Phosphoglycerol | HMDB | Dihydrogen a-glycerophosphate | HMDB | DL-a-Glycerol phosphate | HMDB | DL-a-Glycerophosphate | HMDB | DL-a-Glycerophosphorate | HMDB | DL-a-Glycerophosphoric acid | HMDB | DL-a-Glyceryl phosphate | HMDB | DL-alpha-Glycerol phosphate | HMDB | DL-alpha-Glycerophosphate | HMDB | DL-alpha-Glycerophosphorate | HMDB | DL-alpha-Glycerophosphoric acid | HMDB | DL-alpha-Glyceryl phosphate | HMDB | DL-Glycerol 1-phosphate | HMDB | DL-Glycerol 3-phosphate | HMDB | Glycerol 1-phosphate | HMDB | Glycerol a-phosphate | HMDB | Glycerol monophosphate | HMDB | Glycerophosphorate | HMDB | Glycerophosphoric acid I | HMDB | Glyceryl phosphate | HMDB | sn-Glycerol 3-phosphate | HMDB | 1-Phosphoglycerol | HMDB | alpha-Glycerophosphoric acid, (DL)-isomer | HMDB | alpha-Glycerophosphoric acid, (R)-isomer | HMDB | alpha-Glycerophosphoric acid, (S)-isomer | HMDB | alpha-Glycerophosphoric acid, 1,2,3-propanetriol-1-(18)O,3-(dihydrogen phosphate)-labeled | HMDB | alpha-Glycerophosphoric acid, 1,2,3-propanetriol-2-(18)O,3-(dihydrogen phosphate)-labeled | HMDB | alpha-Glycerophosphoric acid, fe salt | HMDB | alpha-Glycerophosphoric acid, fe(+3) salt (3:2) | HMDB | alpha-Glycerophosphoric acid, calcium salt | HMDB | alpha-Glycerophosphoric acid, disodium salt | HMDB | alpha-Glycerophosphoric acid, disodium salt (+-)-isomer | HMDB | alpha-Glycerophosphoric acid, disodium salt hexahydrate(+-)-isomer | HMDB | alpha-Glycerophosphoric acid, monocalcium salt | HMDB | alpha-Glycerophosphoric acid, monocalcium salt (S)-isomer | HMDB | alpha-Glycerophosphoric acid, monomagnesium salt | HMDB | alpha-Glycerophosphoric acid, sodium salt | HMDB | Disodium glycerophosphate | HMDB | Sodium glycerophosphate | HMDB |
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Chemical Formula | C3H9O6P |
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Average Molecular Weight | 172.0737 |
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Monoisotopic Molecular Weight | 172.013674532 |
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IUPAC Name | [(2R)-2,3-dihydroxypropoxy]phosphonic acid |
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Traditional Name | 3-phosphoglycerol |
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CAS Registry Number | 57-03-4 |
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SMILES | OC[C@@H](O)COP(O)(O)=O |
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InChI Identifier | InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1 |
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InChI Key | AWUCVROLDVIAJX-GSVOUGTGSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as glycerophosphates. Glycerophosphates are compounds containing a glycerol linked to a phosphate group. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Glycerophospholipids |
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Sub Class | Glycerophosphates |
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Direct Parent | Glycerophosphates |
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Alternative Parents | |
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Substituents | - Sn-glycerol-3-phosphate
- Monoalkyl phosphate
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Secondary alcohol
- 1,2-diol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- 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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Not Available | 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 | 102 - 104 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 1000 mg/mL | 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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Glycerol 3-phosphate,1TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O)COP(=O)(O)O | 1628.7 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,1TMS,isomer #2 | C[Si](C)(C)O[C@H](CO)COP(=O)(O)O | 1630.4 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,1TMS,isomer #3 | C[Si](C)(C)OP(=O)(O)OC[C@H](O)CO | 1640.1 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,2TMS,isomer #1 | C[Si](C)(C)OC[C@H](COP(=O)(O)O)O[Si](C)(C)C | 1673.1 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,2TMS,isomer #2 | C[Si](C)(C)OC[C@@H](O)COP(=O)(O)O[Si](C)(C)C | 1691.0 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,2TMS,isomer #3 | C[Si](C)(C)O[C@H](CO)COP(=O)(O)O[Si](C)(C)C | 1682.6 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,2TMS,isomer #4 | C[Si](C)(C)OP(=O)(OC[C@H](O)CO)O[Si](C)(C)C | 1672.8 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,3TMS,isomer #1 | C[Si](C)(C)OC[C@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C | 1734.7 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,3TMS,isomer #1 | C[Si](C)(C)OC[C@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C | 1704.1 | Standard non polar | 33892256 | Glycerol 3-phosphate,3TMS,isomer #1 | C[Si](C)(C)OC[C@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C | 2010.1 | Standard polar | 33892256 | Glycerol 3-phosphate,3TMS,isomer #2 | C[Si](C)(C)OC[C@@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 1736.4 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,3TMS,isomer #2 | C[Si](C)(C)OC[C@@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 1717.9 | Standard non polar | 33892256 | Glycerol 3-phosphate,3TMS,isomer #2 | C[Si](C)(C)OC[C@@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 1824.9 | Standard polar | 33892256 | Glycerol 3-phosphate,3TMS,isomer #3 | C[Si](C)(C)O[C@H](CO)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 1720.9 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,3TMS,isomer #3 | C[Si](C)(C)O[C@H](CO)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 1715.0 | Standard non polar | 33892256 | Glycerol 3-phosphate,3TMS,isomer #3 | C[Si](C)(C)O[C@H](CO)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 1848.4 | Standard polar | 33892256 | Glycerol 3-phosphate,4TMS,isomer #1 | C[Si](C)(C)OC[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C | 1766.2 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,4TMS,isomer #1 | C[Si](C)(C)OC[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C | 1760.5 | Standard non polar | 33892256 | Glycerol 3-phosphate,4TMS,isomer #1 | C[Si](C)(C)OC[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C | 1791.0 | Standard polar | 33892256 | Glycerol 3-phosphate,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O)COP(=O)(O)O | 1887.5 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H](CO)COP(=O)(O)O | 1878.0 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H](O)CO | 1881.4 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C | 2093.4 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 2108.2 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@H](CO)COP(=O)(O)O[Si](C)(C)C(C)(C)C | 2104.8 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H](O)CO)O[Si](C)(C)C(C)(C)C | 2121.2 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2364.3 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2314.5 | Standard non polar | 33892256 | Glycerol 3-phosphate,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2319.8 | Standard polar | 33892256 | Glycerol 3-phosphate,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2348.5 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2301.2 | Standard non polar | 33892256 | Glycerol 3-phosphate,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2187.0 | Standard polar | 33892256 | Glycerol 3-phosphate,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@H](CO)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2346.5 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@H](CO)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2284.6 | Standard non polar | 33892256 | Glycerol 3-phosphate,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@H](CO)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2191.4 | Standard polar | 33892256 | Glycerol 3-phosphate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2587.5 | Semi standard non polar | 33892256 | Glycerol 3-phosphate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2435.8 | Standard non polar | 33892256 | Glycerol 3-phosphate,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2231.1 | 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 - Glycerol 3-phosphate GC-EI-TOF (Non-derivatized) | splash10-0uea-0932000000-726f422c76a193edf232 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Glycerol 3-phosphate GC-EI-TOF (Non-derivatized) | splash10-0uea-0932000000-726f422c76a193edf232 | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Glycerol 3-phosphate GC-MS (4 TMS) | splash10-0zgj-1976000000-019de1fa6314b95ef7fe | 2018-05-25 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (Non-derivatized) - 70eV, Positive | splash10-01ot-9300000000-a435ec7fb966f8ddc1a2 | 2016-09-22 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (2 TMS) - 70eV, Positive | splash10-0230-9080000000-9f48133c7a08fb549acd | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (TBDMS_2_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (TBDMS_2_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Glycerol 3-phosphate GC-MS (TBDMS_2_4) - 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 - Glycerol 3-phosphate Quattro_QQQ 10V, Positive-QTOF (Annotated) | splash10-0002-9200000000-bf06c1d1e56cb8853243 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate Quattro_QQQ 25V, Positive-QTOF (Annotated) | splash10-00kr-9200000000-ffce45222cab00a0c302 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate Quattro_QQQ 40V, Positive-QTOF (Annotated) | splash10-001j-9000000000-7689cca8f9c9a12d9e75 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-00di-0902000000-00e3a7e1ee10fbd8b03e | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-000i-9000000000-1a40c90fd2eb656ddf5c | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-0002-9000000000-f9bc5f552db38767c437 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-0002-0920000000-72f8b96355726dd3a5b1 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-00di-0901000000-2c3a8ed438d7ca0fa049 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-000i-9000000000-a3549fb5ec2675fbf615 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-0002-9000000000-096e2ba9a6ef6fd20d88 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF | splash10-0002-0930000000-171708905bad289d6031 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-00di-0925110000-c1ced10d34f533b3fa1f | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-03di-0900000000-4ee8a36492a451beda75 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-004i-9000000000-de2aacfb81476c7755e5 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-00di-0900000000-dd342482ade09e9ce749 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-0fkc-0917520000-d61e6034525ac5f7588d | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-004i-9000000000-d537d3f23f3d9a789c20 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-00di-0900000000-2f1ca45b50402f6e62df | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOF | splash10-0udi-0009000000-5606781224d6ab5caed3 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOF | splash10-0pi0-1900000000-75b6ed57a4c9cd6378b4 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOF | splash10-0a59-6900000000-1c46fbda1468f6fd803c | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOF | splash10-0a5c-9400000000-305e9a2554d8c3274f32 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOF | splash10-007o-9000000000-d11ad04a048c3dca25de | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Glycerol 3-phosphate LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOF | splash10-00mo-9000000000-7b779b4be184b5b26b6a | 2012-08-31 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Glycerol 3-phosphate 10V, Positive-QTOF | splash10-00di-5900000000-297dbde751110233eca5 | 2016-09-12 | 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 | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Experimental 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | 2012-12-04 | 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 | Colorectal cancer |
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- 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 ]
- 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 ]
| Alzheimer's disease |
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- Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
| Frontotemporal dementia |
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- Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
| Lewy body disease |
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- Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
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General References | - 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 ]
- Slomiany BL, Piotrowski J, Mojtahed H, Slomiany A: Ebrotidine effect on the proteolytic and lipolytic activities of Helicobacter pylori. Gen Pharmacol. 1992 Mar;23(2):203-6. [PubMed:1639232 ]
- Guminski T: Some glycolytic enzymes in normal cerebrospinal fluid, brain tissue and blood plasma of infants. Clin Chim Acta. 1976 Aug 16;71(1):61-6. [PubMed:134854 ]
- 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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