| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:00 UTC |
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| Update Date | 2025-03-25 00:47:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160198 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16N2O9P2 |
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| Molecular Mass | 358.0331 |
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| SMILES | Nc1cccn1C1CC(O)C(COP(=O)(O)OP(=O)(O)O)O1 |
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| InChI Key | BOHADCYNBGIRQC-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholssubstituted pyrrolestetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphatesubstituted pyrroleorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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