Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB110595 |
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Identification |
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Name: |
1-deoxy-D-xylulose 5-phosphate |
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Description: | Dianion of 1-deoxy-D-xylulose 5-phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3. |
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Structure |
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Synonyms: | -
DXP
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deoxyxylulose-5-phosphate
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D-1-deoxyxylulose-5-P
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1-deoxy-D-threo-pentulose 5-phosphate
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DOXP
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Chemical Formula: |
C5H9O7P
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Average Molecular Weight: |
212.1 |
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Monoisotopic Molecular
Weight: |
214.0242392178 |
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InChI Key: |
AJPADPZSRRUGHI-RFZPGFLSSA-L |
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InChI: |
InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/p-2/t4-,5-/m1/s1 |
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CAS
number: |
190079-18-6 |
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IUPAC Name: | 1-deoxy-D-xylulose 5-phosphate |
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Traditional IUPAC Name: |
1-deoxy-D-xylulose-5-phosphate |
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SMILES: | CC(=O)C(O)C(O)COP([O-])(=O)[O-] |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. |
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Kingdom |
Chemical entities |
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Super Class | Organic compounds |
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Class |
Organic oxygen compounds |
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Sub Class | Organooxygen compounds |
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Direct Parent |
Pentose phosphates |
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Alternative Parents |
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Substituents |
- Pentose-5-phosphate
- Monosaccharide phosphate
- Monoalkyl phosphate
- Acyloin
- Beta-hydroxy ketone
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Alpha-hydroxy ketone
- Ketone
- 1,2-diol
- Secondary alcohol
- Carbonyl group
- Hydrocarbon derivative
- Alcohol
- Organic oxide
- 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: |
Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties |
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Biological Properties |
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Cellular Locations: |
Not Available |
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Reactions: | |
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Pathways: |
- superpathway of thiamin diphosphate biosynthesis ITHISYN-PWY
- thiazole biosynthesis I (E. coli)PWY-6892
- pyridoxal 5'-phosphate biosynthesis IPYRIDOXSYN-PWY
- methylerythritol phosphate pathway INONMEVIPP-PWY
- superpathway of pyridoxal 5'-phosphate biosynthesis and salvagePWY0-845
- superpathway of thiamin diphosphate biosynthesis IIPWY-6895
- thiazole biosynthesis II (Bacillus)PWY-6891
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Spectra |
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Spectra: |
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References |
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References: |
Not Available |
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Synthesis Reference: |
Blagg, Brian S. J.; Poulter, C. Dale. Synthesis of 1-Deoxy-D-xylulose and 1-Deoxy-D-xylulose-5-phosphate. Journal of Organic Chemistry (1999), 64(5), 1508-1511. |
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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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