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Identification |
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YMDB ID | YMDB00070 |
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Name | Imidazole acetol-phosphate |
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Species | Saccharomyces cerevisiae |
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Strain | Baker's yeast |
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Description | Imidazole acetol-phosphate belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. Imidazole acetol-phosphate is a very strong basic compound (based on its pKa). Imidazole acetol-phosphate exists in all living species, ranging from bacteria to humans. Within yeast, imidazole acetol-phosphate participates in a number of enzymatic reactions. In particular, imidazole acetol-phosphate can be biosynthesized from D-erythro-imidazole-glycerol-phosphate; which is mediated by the enzyme imidazole glycerol-phosphate dehydratase. In addition, imidazole acetol-phosphate and L-glutamic acid can be converted into oxoglutaric acid and L-histidinol phosphate through its interaction with the enzyme histidinol-phosphate aminotransferase. In yeast, imidazole acetol-phosphate is involved in the metabolic pathway called histidine biosynthesis pathway. |
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Structure | |
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Synonyms | - 1-(1H-imidazol-4-yl)-3-(phosphonooxy)-2-propanone
- 3-(1H-imidazol-4-yl)-2-oxopropyl dihydrogen phosphate
- 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate
- 3-(Imidazol-4-yl)-2-oxopropyl phosphate
- Imidazole acetol phosphate
- Imidazole acetol-p
- Imidazole-acetol phosphate
- 3-(Imidazol-4-yl)-2-oxopropyl phosphoric acid
- Imidazole-acetol phosphoric acid
- Imidazole acetol-phosphoric acid
- 1-(1H-Imidazol-5-yl)-3-(phosphonooxy)-2-propanone
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CAS number | 99979-59-6 |
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Weight | Average: 220.1198 Monoisotopic: 220.02490792 |
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InChI Key | YCFFMSOLUMRAMD-UHFFFAOYSA-N |
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InChI | InChI=1S/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12) |
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IUPAC Name | [3-(1H-imidazol-4-yl)-2-oxopropoxy]phosphonic acid |
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Traditional IUPAC Name | 3-(1H-imidazol-4-yl)-2-oxopropoxyphosphonic acid |
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Chemical Formula | C6H9N2O5P |
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SMILES | [H]OP(=O)(O[H])OC([H])([H])C(=O)C([H])([H])C1=C([H])N([H])C([H])=N1 |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. |
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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 | Monoalkyl phosphates |
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Alternative Parents | |
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Substituents | - Monoalkyl phosphate
- Azole
- Imidazole
- Heteroaromatic compound
- Ketone
- Organoheterocyclic compound
- Azacycle
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Organic nitrogen compound
- Hydrocarbon derivative
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | |
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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 | |
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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 | splash10-000t-9200000000-41a681dee161ad4f3e7b | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0fk9-3390000000-102fb9b517f2001e0996 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0kmi-4950000000-076be23324f875b841dc | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a59-9500000000-99bd6a8eac665bc00868 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-016r-7190000000-c52bfb05c2cd90023536 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-7598c15214a6b2b67038 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-59a5e26dad504ee2412d | 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
- 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
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Synthesis Reference: | Not Available |
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External Links: | |
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