| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:28 UTC |
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| Update Date | 2025-03-21 18:35:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106600 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C8H11N4O7P |
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| Molecular Mass | 306.0365 |
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| SMILES | Nc1ncn(C2OC3COP(=O)(O)OC3C2O)c(=O)n1 |
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| InChI Key | OOFVYNALNFMRFH-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 | aminotriazinesazacyclic compoundshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic phosphoric acids and derivativesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofuranstriazinones |
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| Substituents | amino-1,3,5-triazinepentose phosphateorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranaminotriazineheteroaromatic compoundoxacyclehalo-s-triazinesecondary alcoholtriazinehydrocarbon derivative1,3,5-triazineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminetriazinone |
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