| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:53 UTC |
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| Update Date | 2025-03-21 18:01:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033445 |
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| Frequency | 108.5 |
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| Structure | |
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| Chemical Formula | C8H14N4O11P2 |
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| Molecular Mass | 404.0134 |
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| SMILES | Nc1ncn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1 |
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| InChI Key | RQKDGRDHJHINET-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-diolsaminotriazinesazacyclic compoundshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofuranstriazinones |
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| Substituents | amino-1,3,5-triazinearomatic heteromonocyclic compoundpentose phosphatepentose-5-phosphateorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholcarbonic acid derivativeazacycletetrahydrofuranaminotriazineheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid esterhalo-s-triazinemonoalkyl phosphatesecondary alcoholtriazinehydrocarbon derivative1,3,5-triazineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminetriazinonealkyl phosphate |
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