| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:45 UTC |
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| Update Date | 2025-03-25 00:50:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180209 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17N2O9P2+ |
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| Molecular Mass | 371.0404 |
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| SMILES | Cc1c[n+](C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)ccn1 |
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| InChI Key | ZPBKGNWEDNSOHT-UHFFFAOYSA-O |
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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 cationsorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrazinessecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphateorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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