| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:29 UTC |
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| Update Date | 2025-03-25 00:51:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186436 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H21N3O12P2 |
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| Molecular Mass | 449.06 |
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| SMILES | NC(c1cn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)cn1)C(O)CO |
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| InChI Key | BBFGFEGGSWBYCL-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazole ribonucleosides and ribonucleotidesimidazolesmonoalkyl phosphatesmonoalkylaminesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | imidazole ribonucleosidearomatic heteromonocyclic compoundpentose phosphatepentose-5-phosphateorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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