| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:02 UTC |
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| Update Date | 2025-03-25 00:57:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226695 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N6O9P |
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| Molecular Mass | 474.1264 |
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| SMILES | CC(O)C(NC(N)=O)C(=O)Nc1ccnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1 |
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| InChI Key | ZOUKRUFXVIJIPV-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 acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmethylpyridinesmonoalkyl phosphatesmonosaccharidesn-arylamidesn-carbamoyl-alpha amino acidsn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | fatty acylcarbonyl grouppentose phosphatepolyhalopyridinefatty amiden-arylamidealpha-amino acid or derivativesimidazopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundimidazolen-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazolen-substituted imidazolealcoholcarbonic acid derivativealpha-amino acid amideazacycletetrahydrofurann-carbamoyl-alpha-amino acidheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupn-substituted-alpha-amino acidoxacyclesecondary carboxylic acid amidepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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