1-deoxy-D-xylulose 5-phosphate
CNP0343667.1 · C5H11O7P · View on COCONUT ↗
Identifiers
| Name | 1-deoxy-D-xylulose 5-phosphate |
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| IUPAC Name | [(2~{R},3~{S})-2,3-dihydroxy-4-oxo-pentyl] dihydrogen phosphate |
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| COCONUT ID | CNP0343667.1 |
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| CAS | 190079-18-6 |
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| InChIKey | AJPADPZSRRUGHI-RFZPGFLSSA-N |
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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)/t4-,5-/m1/s1 |
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| SMILES | CC(=O)[C@@H](O)[C@H](O)COP(=O)(O)O |
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Properties
| Molecular Formula | C5H11O7P |
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| Molecular Weight | 214.11 |
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| Exact Mass | 214.02424 |
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| Log P (ALogP) | -1.59 |
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| TPSA | 124.29 |
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| H-Bond Donors / Acceptors | 4 / 5 |
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| Rotatable Bonds | 5 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.41 |
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| NP-likeness | 1.60 |
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Classification
| NP Pathway | Carbohydrates |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | Organic oxygen compounds |
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| Chemical Class | Organooxygen compounds |
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| Chemical Subclass | Carbohydrates and carbohydrate conjugates |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
