| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:25 UTC |
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| Update Date | 2025-03-25 00:45:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152113 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O9PS+ |
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| Molecular Mass | 399.0622 |
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| SMILES | NC(CCc1cs[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1)C(=O)O |
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| InChI Key | JZBRHJPUZCMIMG-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 | 1,2-diolsalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuransthiazoles |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatealpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundazole1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphate |
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