| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:32 UTC |
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| Update Date | 2025-03-21 18:29:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080314 |
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| Frequency | 36.2 |
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| Structure | |
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| Chemical Formula | C11H15N5O11P2 |
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| Molecular Mass | 455.0243 |
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| SMILES | Nc1cnc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1 |
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| InChI Key | PRNYBEHZKYQJGR-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-diols1,4-diazepinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | pentose phosphatepentose-5-phosphateorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclepara-diazepinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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