Record Information |
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Version | 2.0 |
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Creation Date | 2012-08-09 09:16:14 -0600 |
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Update Date | 2015-06-03 17:21:29 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | Mannitol 1-phosphate |
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Description | Mannitol-1-phosphate is a sugar alcohol. Mannitol-1-phosphate dehydrogenase (EC 1.1.1.17) reduces fructose 6-phosphate into mannitol 1-phosphate, in the mannitol cycle of organisms such as Lactobacillus plantarum, a lactic acid bacterium found in many fermented food products and in the gastrointestinal tract of mammals. (HMDB) This redox reaction also occurs in E. coli, catalyzed by mannitol-1-phosphate 5-dehydrogenase which is encoded by gene mtlD. (EcoCyc) In E. coli, the transport of mannitol into the cell is done through a phosphotransferase system which attaches a phosphate to mannitol, producing mannitol 1-phosphate. (KEGG) |
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Structure | |
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Synonyms: | - D-Mannitol-1-phosphate
- D-Mannitol-1-phosphoric acid
- D-Mannitol-6-phosphate
- D-Mannitol-6-phosphoric acid
- Mannitol 1-phosphoric acid
- Mannitol-1-P
- Mannitol-1-phosphate
- Mannitol-1-phosphoric acid
- Mannitol-6-P
- Mant1P
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Chemical Formula: | C6H15O9P |
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Weight: | Average: 262.1517 Monoisotopic: 262.04536859 |
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InChI Key: | GACTWZZMVMUKNG-KVTDHHQDSA-N |
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InChI: | InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1 |
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CAS number: | 15806-48-1 |
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IUPAC Name: | {[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]oxy}phosphonic acid |
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Traditional IUPAC Name: | mannitol-1-phosphate |
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SMILES: | OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. |
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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 | Monosaccharide phosphates |
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Alternative Parents | |
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Substituents | - Monosaccharide phosphate
- Monoalkyl phosphate
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Secondary alcohol
- Polyol
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Alcohol
- 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: | Solid |
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Charge: | -2 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Cytoplasm |
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Reactions: | |
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SMPDB Pathways: | glycolysis and pyruvate dehydrogenase | PW000785 | |
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KEGG Pathways: | - Fructose and mannose metabolism ec00051
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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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 | splash10-006y-9540000000-86cf8d59afcce7584a3f | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positive | splash10-0a4r-4923567000-26272b4c862b92140c1d | 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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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-0w34-1490000000-d2e962eeeb8b5314f806 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-001i-9670000000-03053fb004aa1c4e49ec | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-01q9-9300000000-4ba001d15034930de63b | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-08i0-9300000000-9c3caddbe76982beb86c | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-0159-6900000000-eb42bdad711c5a7235ec | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 6V, negative | splash10-03di-0090000000-ae29abfa6b43be45ec2d | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 7V, negative | splash10-03di-3090000000-4cd26f2bbad6c4388684 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 9V, negative | splash10-01r2-9050000000-ea7e8f0586758c6aba0d | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 12V, negative | splash10-002b-9010000000-93fe5d73664c635a907e | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 14V, negative | splash10-002b-9000000000-e377d371c29e68aebaaa | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 17V, negative | splash10-004j-9000000000-574c45306f876b8fb577 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 21V, negative | splash10-004i-9000000000-c903273e5dc08f87bedf | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - n/a 18V, negative | splash10-002b-9000000000-f8d2372dae0d91dd5c9b | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 6V, negative | splash10-00di-0020090000-17eaa3895d63654aadfb | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 7V, negative | splash10-03r0-0090090000-daad02df2a8857e3b044 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 9V, negative | splash10-03di-0090020000-51fd69100fe5fcfd7caa | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 10V, negative | splash10-03di-0090000000-2b445bd7c879872a7e72 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 12V, negative | splash10-03di-0090000000-7d28445e31e474a97c45 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Orbitrap 13V, negative | splash10-03di-0090000000-3fa243df5a46b4b1106d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03dj-3690000000-bcc5097fd962872341bd | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03kc-9610000000-ac374a4fe18a51efbab7 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03kd-9200000000-651b0e98592a21df2d7e | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-084v-9820000000-12be868166849360c049 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9200000000-7c23a52e0da63d89cc95 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-0fa94fd955a1b1afa23a | View in MoNA |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
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References |
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References: | - Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." Anal Chem 80:2939-2948. Pubmed: 18331064
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Synthesis Reference: | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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Links |
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External Links: | |
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