| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:50 UTC |
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| Update Date | 2025-03-25 00:46:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153069 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N5O9P |
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| Molecular Mass | 391.0529 |
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| SMILES | NC(=O)c1c(O)nnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | JOKHHMANBLLNJZ-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 | 1,2-diolsazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespyridazines and derivativessecondary alcoholstetrahydrofuransvinylogous acids |
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| Substituents | primary carboxylic acid amidepentose phosphatepentose-5-phosphatecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclevinylogous acidphosphoric acid estermonoalkyl phosphatepyridazinesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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