| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:14 UTC |
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| Update Date | 2025-03-25 00:57:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222731 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N4O10P2 |
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| Molecular Mass | 400.0185 |
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| SMILES | O=c1[nH][nH]c2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)O)O1 |
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| InChI Key | NWGNVDJNGMNBJQ-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrazolespyrazolonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepyrazoleorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphatepyrazolinone |
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