| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:16 UTC |
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| Update Date | 2025-03-25 01:00:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240740 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H18N3O13P3 |
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| Molecular Mass | 481.0052 |
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| SMILES | CC(=O)Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)n1 |
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| InChI Key | LITBZGNBMPFWAL-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 heteromonocyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesn-acetylarylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrazolessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupn-acetylarylaminearomatic heteromonocyclic compoundpentose phosphaten-arylamidecarboxylic acid derivativepyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundacetamideazolealcoholazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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