| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:18 UTC |
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| Update Date | 2025-03-21 18:05:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055743 |
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| Frequency | 57.3 |
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| Structure | |
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| Chemical Formula | C9H14N2O8PS+ |
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| Molecular Mass | 341.0203 |
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| SMILES | NC(=O)c1c[n+](C2OC(COP(=O)(O)O)C(O)C2O)cs1 |
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| InChI Key | XWMFBTMESJYXBH-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-diols2-heteroaryl carboxamidesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary alcoholstetrahydrofuransthiazolecarboxamidesvinylogous amides |
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| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatecarboxylic acid derivativethiazolecarboxylic acid or derivatives2-heteroaryl carboxamideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundazole1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundthiazolecarboxamidethiazoleorganic phosphoric acid derivativealkyl phosphate |
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