Record Information |
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Version | 2.0 |
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Creation Date | 2012-05-31 10:23:46 -0600 |
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Update Date | 2015-09-13 12:56:07 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | Myo-inositol 1-phosphate |
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Description | Myo-inositol 1-phosphate is an inositol having myo- configuration substituted at position 1 by a phosphate group. (ChEBI) There are 2 stereoisomers of myo-inositol 1-phosphate: 1D-myo-inositol 1-phosphate and 1L-myo-inositol 1-phosphate. The D-isomer is the isomer that is more commonly referred to when discussing myo-inositol 1-phosphate <i>(in KEGG, for example)</i>, and is a constituent of phospholipids and inositol polyphosphates. The L-isomer is also known as 1D-myo-inositol 3-phosphate. (EcoCyc) The enzyme myo-inositol-1(or 4)-monophosphatase (an inositol monophosphatase) (EC:3.1.3.25) catalyzes the removal of the phosphate group from both isomers of myo-inositol 1-phosphate. (KEGG) |
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Structure | |
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Synonyms: | - 1-(Dihydrogen phosphate) DL-myo-Inositol
- 1-(Dihydrogen phosphate) myo-Inositol
- 1-(Dihydrogen phosphoric acid) DL-myo-inositol
- 1-(Dihydrogen phosphoric acid) myo-inositol
- 1-D-myo-inositol-1-p
- 1-D-Myo-inositol-1-P
- 1D-myo-inositol 1-phosphate
- 1D-myo-Inositol 1-phosphate
- 1D-Myo-inositol 1-phosphoric acid
- 1D-myo-Inositol 1-phosphoric acid
- D-myo-inositol (1)-monophosphate
- D-Myo-inositol (1)-monophosphate
- D-Myo-inositol (1)-monophosphoric acid
- DL-myo-Inositol 1-phosphate
- DL-myo-Inositol 1-phosphoric acid
- Ins(1)P
- Ins(1)P1
- Ins(1)P1
- Ins1P
- Myo-Inositol 1-monophosphate
- myo-Inositol 1-monophosphoric acid
- Myo-Inositol 1-phosphate
- myo-Inositol 1-phosphoric acid
- Myo-Inositol-1-phosphate
- myo-Inositol-1-phosphoric acid
- Myoinositol 1-phosphate
- Myoinositol 1-phosphoric acid
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Chemical Formula: | C6H13O9P |
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Weight: | Average: 260.1358 Monoisotopic: 260.029718526 |
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InChI Key: | INAPMGSXUVUWAF-PTQMNWPWSA-N |
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InChI: | InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m0/s1 |
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CAS number: | 573-35-3 |
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IUPAC Name: | {[(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid |
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Traditional IUPAC Name: | myo-inositol 1-phosphate |
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SMILES: | O[C@H]1[C@H](O)[C@H](O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. |
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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 | Alcohols and polyols |
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Direct Parent | Inositol phosphates |
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Alternative Parents | |
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Substituents | - Inositol phosphate
- Monoalkyl phosphate
- Cyclohexanol
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Secondary alcohol
- Polyol
- Organic oxide
- Hydrocarbon derivative
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic 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: | 195 °C |
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Experimental Properties: | Property | Value | Source |
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Water Solubility: | 333.0 mg/mL [MERCK INDEX (1996)] | PhysProp |
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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: | Not Available |
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KEGG Pathways: | - Inositol phosphate metabolism ec00562
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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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GC-MS | GC-MS Spectrum - GC-MS (7 TMS) | splash10-014i-1559000000-8a2b9550f104f28e0f7d | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-MS (7 TMS) | splash10-014i-0149000000-db7a2abef248fd1db09b | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-014i-1559000000-8a2b9550f104f28e0f7d | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-014i-0149000000-db7a2abef248fd1db09b | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0005-9650000000-12db07845ff78aa5511d | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positive | splash10-0a4i-2601259000-2775d0992be57f9b2782 | 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 | splash10-03di-2390000000-872b3b8044fff0ad80a9 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03dl-2290000000-122539b694f8b31100a9 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9700000000-bed069cf85feb1dc4ab8 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-4190000000-ea44c00eea91f419e692 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9220000000-d6c08f18832b9de73a53 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-3c92a73868c327380526 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0090000000-05d6010bb4bbf2b0c228 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a6s-9280000000-69bd06f4ab8866ad9db1 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004j-9000000000-f3e6675946c65f8f8f07 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0090000000-89fa9427c518aa95bbd0 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0190000000-fa4c1ecfe995d290a153 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9100000000-fc4055901243469636ad | View in MoNA |
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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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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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References |
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References: | - Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
- Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
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Synthesis Reference: | Klyashchitskii, B. A.; Pimenova, V. V.; Shvets, V. I.; Sokolov, S. D.; Preobrazhenskii, N. A. Total synthesis of sn-myoinositol 1-phosphate. Zhurnal Obshchei Khimii (1969), 39(10), 2373. |
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Material Safety Data Sheet (MSDS) | Download (PDF) |
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Links |
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External Links: | |
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