| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:47 UTC |
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| Update Date | 2025-03-25 00:50:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182593 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N2O7PS |
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| Molecular Mass | 336.0181 |
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| SMILES | O=P(O)(O)OCC1OC(n2cnc3ccsc32)C(O)C1O |
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| InChI Key | VXKNGIYZARUBPY-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 | 1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuransthienoimidazolesthiophenes |
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| Substituents | pentose phosphatepentose-5-phosphatethiopheneorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacyclethienoimidazolephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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