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Identification |
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YMDB ID | YMDB00672 |
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Name | 3-phospho-D-glyceroyl dihydrogen phosphate |
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Species | Saccharomyces cerevisiae |
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Strain | Baker's yeast |
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Description | Glyceric acid 1,3-biphosphate, also known as 1,3-biphosphoglycerate or 3-phospho-D-glyceroyl phosphate, belongs to the class of organic compounds known as acyl monophosphates. These are organic compounds containing a monophosphate linked to an acyl group. They have the general structure R-CO-P(O)(O)OH, R=H or organyl. Glyceric acid 1,3-biphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Glyceric acid 1,3-biphosphate exists in all living species, ranging from bacteria to humans. |
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Structure | |
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Synonyms | - (R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid
- 1,3-bis-phosphoglycerate
- 1,3-Bisphospho-D-glycerate
- 1,3-bisphosphoglycerate
- 3-phospho-d-glyceroyl phosphate
- D-Glycerate 1,3-diphosphate
- (R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoate
- 1,3-Bisphospho-D-glyceric acid
- 3-Phospho-D-glyceroyl phosphoric acid
- D-Glyceric acid 1,3-diphosphoric acid
- Glycerate 1,3-biphosphate
- Glyceric acid 1,3-biphosphoric acid
- 3-Phospho-D-glyceroyl dihydrogen phosphoric acid
- 1,3-Biphosphoglycerate
- 1,3-Bisphosphoglyceric acid
- 1,3-Diphosphoglycerate
- 1,3-Diphosphoglyceric acid
- 3-Phospho-D-glyceroyl-phosphate
- 3-Phosphoglyceroyl phosphate
- 3-Phosphoglyceroyl-p
- 3-Phosphoglyceroyl-phosphate
- 3-Phosphonato-D-glyceroyl phosphate
- 3-Phosphonatoglyceroyl phosphate
- 3-p-Glyceroyl-p
- D-Glycerate 1,3-biphosphate
- D-Glycerate 1,3-bisphosphate
- D-Glyceric acid 1,3-biphosphate
- D-Glyceric acid 1,3-bisphosphate
- D-Glyceric acid 1,3-diphosphate
- DPG
- Glycerate 1,3-bisphosphate
- Glycerate 1,3-diphosphate
- Glyceric acid 1,3-bisphosphate
- Glyceric acid 1,3-diphosphate
- Phosphoglyceroyl-p
- p-Glyceroyl-p
- Glyceric acid 1,3-biphosphate
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CAS number | 38168-82-0 |
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Weight | Average: 266.0371 Monoisotopic: 265.9592695 |
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InChI Key | LJQLQCAXBUHEAZ-UWTATZPHSA-N |
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InChI | InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 |
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IUPAC Name | {[(2R)-2-hydroxy-3-(phosphonooxy)propanoyl]oxy}phosphonic acid |
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Traditional IUPAC Name | 1,3-bisphospho-D-glycerate |
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Chemical Formula | C3H8O10P2 |
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SMILES | O[C@H](COP(O)(O)=O)C(=O)OP(O)(O)=O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as acyl monophosphates. These are organic compounds containing a monophosphate linked to an acyl group. They have the general structure R-CO-P(O)(O)OH, R=H or organyl. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Organic phosphoric acids and derivatives |
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Sub Class | Phosphate esters |
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Direct Parent | Acyl monophosphates |
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Alternative Parents | |
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Substituents | - Acyl monophosphate
- Glyceric_acid
- Monoalkyl phosphate
- Monosaccharide
- Alkyl phosphate
- Carboxylic acid salt
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxide
- Organooxygen compound
- Organic oxygen compound
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic salt
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Physical Properties |
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State | Not Available |
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Charge | 0 |
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Melting point | Not Available |
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Experimental Properties | Property | Value | Reference |
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Water Solubility | Not Available | PhysProp | LogP | Not Available | PhysProp |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations | |
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Organoleptic Properties | Not Available |
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SMPDB Pathways | Not Available |
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KEGG Pathways | Glycolysis / Gluconeogenesis | ec00010 | |
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SMPDB Reactions | Not Available |
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KEGG Reactions | |
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Concentrations |
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Intracellular Concentrations | Not Available |
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Extracellular Concentrations | Not Available |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0002-9500000000-cb3071f9249ee92b7d2c | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-1950000000-2cde7b5739871a882542 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014m-3910000000-72f2c46eab2036938056 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000f-9500000000-c835034f0ac11618922d | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03fr-6190000000-6f4870543fc6131d14a7 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-d9d9c6d217a255d791fd | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-1fef400a1ea8ca54c802 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03dj-0090000000-def40aa9bb3094302ce8 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01r2-9040000000-374a9ff8c866f10f2f3c | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-4bf2b9a14f4e1c8fc62a | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00kb-1390000000-8fe62bbfc56bf59f28a6 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9410000000-e17767e21640a6f81532 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-c41dab2684b9d54afd31 | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer |
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References |
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References: | - Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). "BRENDA, the enzyme information system in 2011." Nucleic Acids Res 39:D670-D676.21062828
- Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). "A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology." Nat Biotechnol 26:1155-1160.18846089
- McAlister, L., Holland, M. J. (1985). "Differential expression of the three yeast glyceraldehyde-3-phosphate dehydrogenase genes." J Biol Chem 260:15019-15027.3905788
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Synthesis Reference: | Not Available |
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External Links: | |
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