Identification |
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YMDB ID | YMDB00208 |
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Name | (2S)-2-Hydroxy-3-oxobutyl phosphate |
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Species | Saccharomyces cerevisiae |
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Strain | Baker's yeast |
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Description | L-3,4-Dihydroxybutan-2-one 4-phosphate, also known as (3S)-3-hydroxy-4-(phosphonooxy)butan-2-one or 1-deoxy-L-glycero-tetrulose 4-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. L-3,4-Dihydroxybutan-2-one 4-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). L-3,4-Dihydroxybutan-2-one 4-phosphate exists in both E. coli (prokaryote) and yeast (eukaryote). |
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Structure | |
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Synonyms | - (3S)-3-hydroxy-4-(phosphonooxy)butan-2-one
- (S)-3-hydroxy-4-(phosphonooxy)-2-butanone
- 1-deoxy-L-glycero-tetrulose 4-phosphate
- 3,4-Dhbp
- 3,4-Dihydroxy-2-butanone-4-phosphate
- L-3,4-dihydroxybutan-2-one 4-phosphate
- 1-Deoxy-L-glycero-tetrulose 4-phosphoric acid
- 3,4-Dihydroxy-2-butanone-4-phosphoric acid
- L-3,4-Dihydroxybutan-2-one 4-phosphoric acid
- (2S)-2-Hydroxy-3-oxobutoxyphosphonate
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CAS number | Not Available |
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Weight | Average: 184.0844 Monoisotopic: 184.013674532 |
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InChI Key | OKYHYXLCTGGOLM-BYPYZUCNSA-N |
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InChI | InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)/t4-/m0/s1 |
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IUPAC Name | [(2S)-2-hydroxy-3-oxobutoxy]phosphonic acid |
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Traditional IUPAC Name | (2S)-2-hydroxy-3-oxobutoxyphosphonic acid |
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Chemical Formula | C4H9O6P |
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SMILES | CC(=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 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
- Monosaccharide
- Acyloin
- Alpha-hydroxy ketone
- Secondary alcohol
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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 | Not Available |
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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 | Not Available |
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KEGG Reactions | Not Available |
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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 | splash10-0007-9400000000-971962d1d681055c1e3c | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00kr-3900000000-a3d7948fc05904e06862 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014s-9500000000-31ec6e7cea40d06a6892 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014r-9000000000-beb8708b4dc7d349cdea | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-003r-5900000000-9e4612499bf4e2f07fc5 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9100000000-425643565aa835d01981 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-0ef89293cd43e0a1a071 | 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
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Synthesis Reference: | Not Available |
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External Links: | Resource | Link |
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CHEBI ID | 50608 | HMDB ID | Not Available | Pubchem Compound ID | 45480552 | Kegg ID | Not Available | ChemSpider ID | 19981001 | FOODB ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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