| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:03 UTC |
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| Update Date | 2025-03-21 17:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024416 |
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| Frequency | 171.1 |
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| Structure | |
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| Chemical Formula | C8H13N4O9P |
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| Molecular Mass | 340.042 |
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| SMILES | Nc1nc(=O)n(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | DHJHXMZUCWHHKO-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 oxidesorganopnictogen 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 compoundoxacyclephosphoric acid esterhalo-s-triazinemonoalkyl phosphatesecondary alcoholtriazinehydrocarbon derivative1,3,5-triazineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminetriazinonealkyl phosphate |
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