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 17:14:45 UTC |
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HMDB ID | HMDB0000362 |
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Secondary Accession Numbers | - HMDB00362
- HMDB0062707
- HMDB62707
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Metabolite Identification |
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Common Name | 2-Phosphoglyceric acid |
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Description | 2-Phosphoglyceric acid belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. 2-Phosphoglyceric acid (2PGA) is a glyceric acid which serves as the substrate in the ninth step of glycolysis. This intermediate is created by removal of the proton from C2 of 2PGA by a base in the active site. It is catalyzed by enolase into phosphoenolpyruvate (PEP), the penultimate step in the conversion of glucose to pyruvate. 2-Phosphoglyceric acid is an extremely weak basic (essentially neutral) compound (based on its pKa). 2-Phosphoglyceric acid exists in all living organisms, ranging from bacteria to humans. Outside of the human body, 2-Phosphoglyceric acid has been detected, but not quantified in, milk (cow). This could make 2-phosphoglyceric acid a potential biomarker for the consumption of these foods. Enolase catalyzes the beta-elimination reaction in a stepwise manner wherein OH- is eliminated from C3 of a discrete carbanion (enolate) intermediate. |
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Structure | InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) |
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Synonyms | Value | Source |
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3-Hydroxy-2-(phosphonooxy)propanoic acid | ChEBI | 3-Hydroxy-2-(phosphonooxy)propanoate | Generator | 2-Phosphoglycerate | Generator | 2-(Dihydrogen phosphate)glycerate | HMDB | 2-(Dihydrogen phosphate)glyceric acid | HMDB | 2-P-D-Glycerate | HMDB | 2-P-D-Glyceric acid | HMDB | 2-P-Glycerate | HMDB | 2-P-Glyceric acid | HMDB | 2-phospho-D-Glycerate | HMDB | 2-phospho-DL-Glyceric acid | HMDB | 3-Hydroxy-2-phosphonooxypropanoate | HMDB | 3-Hydroxy-2-phosphonooxypropanoic acid | HMDB | DL-2-Phosphoglycerate | HMDB | Glycerate 2-phosphate | HMDB | Glyceric acid 2-phosphate | HMDB | Phosphoglycerate | HMDB | 2-Phosphoglycerate, (+-)-isomer | MeSH, HMDB | 2-Phosphoglycerate, (R)-isomer | MeSH, HMDB | 2-Phosphoglycerate, (S)-isomer | MeSH, HMDB | 2-Phosphoglycerate, monosodium salt | MeSH, HMDB | 2-Phospho-DL-glyceric acid | HMDB | 2-Phosphoglyceric acid | HMDB |
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Chemical Formula | C3H7O7P |
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Average Molecular Weight | 186.0572 |
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Monoisotopic Molecular Weight | 185.99293909 |
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IUPAC Name | 3-hydroxy-2-(phosphonooxy)propanoic acid |
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Traditional Name | 2-phosphoglyceric acid |
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CAS Registry Number | 2553-59-5 |
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SMILES | OCC(OP(O)(O)=O)C(O)=O |
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InChI Identifier | InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) |
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InChI Key | GXIURPTVHJPJLF-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Sugar acids and derivatives |
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Alternative Parents | |
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Substituents | - Beta-hydroxy acid
- Glyceric_acid
- Monoalkyl phosphate
- Hydroxy acid
- Monosaccharide
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Alcohol
- Organic oxide
- Carbonyl group
- Primary alcohol
- Hydrocarbon derivative
- 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 | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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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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2-Phosphoglyceric acid,1TMS,isomer #1 | C[Si](C)(C)OCC(OP(=O)(O)O)C(=O)O | 1711.4 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,1TMS,isomer #2 | C[Si](C)(C)OC(=O)C(CO)OP(=O)(O)O | 1706.7 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,1TMS,isomer #3 | C[Si](C)(C)OP(=O)(O)OC(CO)C(=O)O | 1726.9 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,2TMS,isomer #1 | C[Si](C)(C)OCC(OP(=O)(O)O)C(=O)O[Si](C)(C)C | 1726.9 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,2TMS,isomer #2 | C[Si](C)(C)OCC(OP(=O)(O)O[Si](C)(C)C)C(=O)O | 1764.3 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,2TMS,isomer #3 | C[Si](C)(C)OC(=O)C(CO)OP(=O)(O)O[Si](C)(C)C | 1731.0 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,2TMS,isomer #4 | C[Si](C)(C)OP(=O)(OC(CO)C(=O)O)O[Si](C)(C)C | 1751.8 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,3TMS,isomer #1 | C[Si](C)(C)OCC(OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1751.3 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,3TMS,isomer #1 | C[Si](C)(C)OCC(OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1718.6 | Standard non polar | 33892256 | 2-Phosphoglyceric acid,3TMS,isomer #1 | C[Si](C)(C)OCC(OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 2117.1 | Standard polar | 33892256 | 2-Phosphoglyceric acid,3TMS,isomer #2 | C[Si](C)(C)OCC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O | 1793.9 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,3TMS,isomer #2 | C[Si](C)(C)OCC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O | 1791.5 | Standard non polar | 33892256 | 2-Phosphoglyceric acid,3TMS,isomer #2 | C[Si](C)(C)OCC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O | 1993.6 | Standard polar | 33892256 | 2-Phosphoglyceric acid,3TMS,isomer #3 | C[Si](C)(C)OC(=O)C(CO)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 1759.2 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,3TMS,isomer #3 | C[Si](C)(C)OC(=O)C(CO)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 1723.3 | Standard non polar | 33892256 | 2-Phosphoglyceric acid,3TMS,isomer #3 | C[Si](C)(C)OC(=O)C(CO)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | 1954.4 | Standard polar | 33892256 | 2-Phosphoglyceric acid,4TMS,isomer #1 | C[Si](C)(C)OCC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1791.2 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,4TMS,isomer #1 | C[Si](C)(C)OCC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1800.5 | Standard non polar | 33892256 | 2-Phosphoglyceric acid,4TMS,isomer #1 | C[Si](C)(C)OCC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1895.8 | Standard polar | 33892256 | 2-Phosphoglyceric acid,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(OP(=O)(O)O)C(=O)O | 1944.3 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C(CO)OP(=O)(O)O | 1941.1 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OP(=O)(O)OC(CO)C(=O)O | 1961.3 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(OP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C | 2126.0 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O | 2147.2 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C(CO)OP(=O)(O)O[Si](C)(C)C(C)(C)C | 2145.5 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OP(=O)(OC(CO)C(=O)O)O[Si](C)(C)C(C)(C)C | 2182.4 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2368.6 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2353.2 | Standard non polar | 33892256 | 2-Phosphoglyceric acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2433.1 | Standard polar | 33892256 | 2-Phosphoglyceric acid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O | 2389.9 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O | 2353.3 | Standard non polar | 33892256 | 2-Phosphoglyceric acid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O | 2335.4 | Standard polar | 33892256 | 2-Phosphoglyceric acid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C(CO)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2361.1 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C(CO)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2308.8 | Standard non polar | 33892256 | 2-Phosphoglyceric acid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C(CO)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2295.1 | Standard polar | 33892256 | 2-Phosphoglyceric acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(OP(=O)(O[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 | 2586.8 | Semi standard non polar | 33892256 | 2-Phosphoglyceric acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(OP(=O)(O[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 | 2528.1 | Standard non polar | 33892256 | 2-Phosphoglyceric acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(OP(=O)(O[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 | 2339.2 | Standard polar | 33892256 |
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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 - 2-Phosphoglyceric acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-0002-9200000000-e2ebcf4711b384e44178 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (2 TMS) - 70eV, Positive | splash10-00dl-9071000000-ee766df3166b5fd32cc6 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (TBDMS_2_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid GC-MS (TBDMS_2_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-Phosphoglyceric acid 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 - 2-Phosphoglyceric acid 20V, Negative-QTOF | splash10-004i-9000000000-91d2eb0c3d843dc23101 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 2-Phosphoglyceric acid 40V, Negative-QTOF | splash10-004i-9000000000-0d40ef3e26817734eb12 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 2-Phosphoglyceric acid 10V, Positive-QTOF | splash10-0udi-1900000000-9a8f9f38b64222541995 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 2-Phosphoglyceric acid 20V, Positive-QTOF | splash10-0pc0-8900000000-0ea2db58db10c9d65d8a | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 2-Phosphoglyceric acid 10V, Negative-QTOF | splash10-004i-9100000000-5906d2344b35a6260d9a | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 2-Phosphoglyceric acid 40V, Positive-QTOF | splash10-0a4i-9700000000-3c35d9442dbee0fecc88 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Phosphoglyceric acid 10V, Positive-QTOF | splash10-000j-9300000000-24ac9683b32428f58197 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Phosphoglyceric acid 20V, Positive-QTOF | splash10-0002-9600000000-b12281d6d89eef904e6b | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Phosphoglyceric acid 40V, Positive-QTOF | splash10-0007-9000000000-a07c4a51c820b32ec8bd | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Phosphoglyceric acid 10V, Negative-QTOF | splash10-001i-4900000000-516a86a1a17689399892 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Phosphoglyceric acid 20V, Negative-QTOF | splash10-004i-9500000000-b33f3e08e2e8b3d5aed5 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Phosphoglyceric acid 40V, Negative-QTOF | splash10-004i-9000000000-07016cc3ecca7d5e323b | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Phosphoglyceric acid 10V, Negative-QTOF | splash10-002b-9000000000-e2aa0f15a5d31307fa1e | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Phosphoglyceric acid 20V, Negative-QTOF | splash10-004i-9000000000-a5e502a2627af2048a1f | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Phosphoglyceric acid 40V, Negative-QTOF | splash10-004i-9000000000-a5e502a2627af2048a1f | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Phosphoglyceric acid 10V, Positive-QTOF | splash10-000i-2900000000-e1c96e130069d9cf375a | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Phosphoglyceric acid 20V, Positive-QTOF | splash10-0002-9000000000-91835bf01523e3aceb24 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2-Phosphoglyceric acid 40V, Positive-QTOF | splash10-001j-9000000000-d48b603841c58b435069 | 2021-09-23 | 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) | 2021-09-29 | Wishart Lab | View Spectrum | 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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, 900 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 |
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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General References | - Wang Y, Wei Z, Liu L, Cheng Z, Lin Y, Ji F, Gong W: Crystal structure of human B-type phosphoglycerate mutase bound with citrate. Biochem Biophys Res Commun. 2005 Jun 17;331(4):1207-15. [PubMed:15883004 ]
- Comi GP, Fortunato F, Lucchiari S, Bordoni A, Prelle A, Jann S, Keller A, Ciscato P, Galbiati S, Chiveri L, Torrente Y, Scarlato G, Bresolin N: Beta-enolase deficiency, a new metabolic myopathy of distal glycolysis. Ann Neurol. 2001 Aug;50(2):202-7. [PubMed:11506403 ]
- Nakayama Y, Kinoshita A, Tomita M: Dynamic simulation of red blood cell metabolism and its application to the analysis of a pathological condition. Theor Biol Med Model. 2005 May 9;2:18. [PubMed:15882454 ]
- Hakobyan D, Nazaryan K: Investigation of interaction between enolase and phosphoglycerate mutase using molecular dynamics simulation. J Biomol Struct Dyn. 2006 Jun;23(6):625-34. [PubMed:16615808 ]
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