Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:43:24 UTC |
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Update Date | 2020-05-21 16:29:05 UTC |
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BMDB ID | BMDB0001270 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Glyceric acid 1,3-biphosphate |
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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 | Value | Source |
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(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid | ChEBI | 1,3-Bisphospho-D-glycerate | ChEBI | 3-Phospho-D-glyceroyl phosphate | ChEBI | D-Glycerate 1,3-diphosphate | Kegg | (R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoate | Generator | 1,3-Bisphospho-D-glyceric acid | Generator | 3-Phospho-D-glyceroyl phosphoric acid | Generator | D-Glyceric acid 1,3-diphosphoric acid | Generator | Glycerate 1,3-biphosphate | Generator | Glyceric acid 1,3-biphosphoric acid | Generator | 3-Phospho-D-glyceroyl dihydrogen phosphoric acid | HMDB | 1,3-Biphosphoglycerate | HMDB | 1,3-Bisphosphoglycerate | HMDB | 1,3-Bisphosphoglyceric acid | HMDB | 1,3-Diphosphoglycerate | HMDB | 1,3-Diphosphoglyceric acid | HMDB | 3-Phospho-D-glyceroyl-phosphate | HMDB | 3-Phosphoglyceroyl phosphate | HMDB | 3-Phosphoglyceroyl-p | HMDB | 3-Phosphoglyceroyl-phosphate | HMDB | 3-Phosphonato-D-glyceroyl phosphate | HMDB | 3-Phosphonatoglyceroyl phosphate | HMDB | 3-p-Glyceroyl-p | HMDB | D-Glycerate 1,3-biphosphate | HMDB | D-Glycerate 1,3-bisphosphate | HMDB | D-Glyceric acid 1,3-biphosphate | HMDB | D-Glyceric acid 1,3-bisphosphate | HMDB | D-Glyceric acid 1,3-diphosphate | HMDB | DPG | HMDB | Glycerate 1,3-bisphosphate | HMDB | Glycerate 1,3-diphosphate | HMDB | Glyceric acid 1,3-bisphosphate | HMDB | Glyceric acid 1,3-diphosphate | HMDB | Phosphoglyceroyl-p | HMDB | p-Glyceroyl-p | HMDB | Glyceric acid 1,3-biphosphate | HMDB |
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Chemical Formula | C3H8O10P2 |
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Average Molecular Weight | 266.0371 |
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Monoisotopic Molecular Weight | 265.9592695 |
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IUPAC Name | {[(2R)-2-hydroxy-3-(phosphonooxy)propanoyl]oxy}phosphonic acid |
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Traditional Name | 1,3-bisphospho-D-glycerate |
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CAS Registry Number | 1981-49-3 |
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SMILES | O[C@H](COP(O)(O)=O)C(=O)OP(O)(O)=O |
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InChI Identifier | 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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InChI Key | LJQLQCAXBUHEAZ-UWTATZPHSA-N |
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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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Ontology |
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Status | Expected but not Quantified |
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Origin | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | |
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Physical Properties |
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State | Solid |
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Experimental 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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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0002-9500000000-cb3071f9249ee92b7d2c | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-1950000000-2cde7b5739871a882542 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014m-3910000000-72f2c46eab2036938056 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000f-9500000000-c835034f0ac11618922d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03fr-6190000000-6f4870543fc6131d14a7 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-d9d9c6d217a255d791fd | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-1fef400a1ea8ca54c802 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03dj-0090000000-def40aa9bb3094302ce8 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01r2-9040000000-374a9ff8c866f10f2f3c | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-4bf2b9a14f4e1c8fc62a | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00kb-1390000000-8fe62bbfc56bf59f28a6 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9410000000-e17767e21640a6f81532 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-c41dab2684b9d54afd31 | View in MoNA |
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1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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