| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:18 UTC |
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| Update Date | 2025-03-25 00:47:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160849 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16N3O15P3 |
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| Molecular Mass | 498.9794 |
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| SMILES | Nc1ncn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c1C(=O)O |
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| InChI Key | QGBSAZUWCLGKOH-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 | 1,2-diolsamino acidsazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazole ribonucleosides and ribonucleotidesimidazolesimidolactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl groupimidazole ribonucleosidecarboxylic acidaromatic heteromonocyclic compoundpentose phosphateamino acid or derivativesamino acidpentose-5-phosphatecarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl groupimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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