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| Identification |
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| YMDB ID | YMDB00196 |
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| Name | D-Sedoheptulose 7-phosphate |
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| Species | Saccharomyces cerevisiae |
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| Strain | Baker's yeast |
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| Description | D-Sedoheptulose 7-phosphate, also known as D-sedoheptulose-7-p, belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. D-Sedoheptulose 7-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). D-Sedoheptulose 7-phosphate exists in all eukaryotes, ranging from yeast to humans. Within yeast, D-sedoheptulose 7-phosphate participates in a number of enzymatic reactions. In particular, D-sedoheptulose 7-phosphate can be biosynthesized from sedoheptulose 1,7-bisphosphate through its interaction with the enzyme sedoheptulose 1,7-bisphosphatase. In addition, D-sedoheptulose 7-phosphate and D-glyceraldehyde 3-phosphate can be converted into xylulose 5-phosphate and D-ribose 5-phosphate; which is mediated by the enzyme transketolase. In yeast, D-sedoheptulose 7-phosphate is involved in the metabolic pathway called the riboneogenesis pathway. |
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| Structure | |
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| Synonyms | - 7-(dihydrogen phosphate) sedoheptulose
- D-Sedoheptulose 7-phosphate
- D-Sedoheptulose 7-phosphic acid
- d-sedoheptulose-7-p
- D-sedoheptulose-7-phosphate
- heptulose-7-phosphate
- sedoheptulose 7-phosphate
- Sedoheptulose-7-p
- sedoheptulose-7-phosphate
- D-Sedoheptulose 7-phosphoric acid
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| CAS number | 2646-35-7 |
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| Weight | Average: 290.1618
Monoisotopic: 290.040283212 |
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| InChI Key | CBIDVWSRUUODHL-QTSLKERKSA-N |
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| InChI | InChI=1S/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7?/m1/s1 |
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| IUPAC Name | {[(2R,3S,4R,5S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy}phosphonic acid |
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| Traditional IUPAC Name | [(2R,3S,4R,5S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxyphosphonic acid |
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| Chemical Formula | C7H15O10P |
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| SMILES | [H]OC([H])([H])C1(O[H])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. |
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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 | Hexose phosphates |
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| Alternative Parents | |
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| Substituents | - Hexose phosphate
- C-glycosyl compound
- Glycosyl compound
- Monosaccharide phosphate
- Monoalkyl phosphate
- Organic phosphoric acid derivative
- Oxane
- Phosphoric acid ester
- Alkyl phosphate
- Hemiacetal
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Polyol
- Organic oxide
- Alcohol
- Primary alcohol
- Hydrocarbon derivative
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Solid |
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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 | |
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| KEGG Pathways | Not Available |
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| SMPDB Reactions | |
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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 | splash10-05u2-9760000000-23220eac824fb093768e | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positive | splash10-000i-4300149000-6fba19ca6cd4460a42b0 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-1490000000-d647c8b819afa525ac31 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-006y-6940000000-948baa6c0020169263a3 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0uk9-6900000000-f2ead32bc69a7827f273 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-009i-8790000000-18c40c04e91399064ede | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9100000000-b41f9c2b1d3edf3ab828 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-63453353080e28955933 | JSpectraViewer |
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| References |
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| References: | - UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
- Vaseghi, S., Baumeister, A., Rizzi, M., Reuss, M. (1999). "In vivo dynamics of the pentose phosphate pathway in Saccharomyces cerevisiae." Metab Eng 1:128-140.10935926
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| Synthesis Reference: | Not Available |
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| External Links: | |
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