| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:06 UTC |
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| Update Date | 2025-03-25 00:47:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160421 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N5O8PS |
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| Molecular Mass | 463.0927 |
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| SMILES | Nc1ccc2ncn(C3OC(CSCCC(N)C(=O)O)C(OP(=O)(O)O)C3O)c2n1 |
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| InChI Key | CFUQLEFOWUNLPA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesimidazolesimidazopyridinesimidolactamsmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinessecondary alcoholssulfenyl compoundstetrahydrofuransthia fatty acids |
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| Substituents | carboxylic acidamino acid or derivativesalpha-amino acid or derivativesimidazopyridineorganonitrogen compoundalpha-amino acidhydroxy fatty acidorganoheterocyclic compoundalcoholsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundpyridinethioethermonoalkyl phosphatehydrocarbon derivativeprimary aliphatic amineprimary amineaminefatty acylcarbonyl grouppentose phosphateamino acidpolyhalopyridineorganosulfur compoundcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compound2-halopyridineimidolactamazolen-substituted imidazoletetrahydrofuranhydroxypyridineoxacyclemonocarboxylic acid or derivativesthia fatty acidphosphoric acid estersecondary alcoholorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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