| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:56 UTC |
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| Update Date | 2025-03-21 18:36:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112590 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C9H11N2O10P |
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| Molecular Mass | 338.0151 |
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| SMILES | O=C(OP(=O)(O)O)C1OC(n2ccc(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | MKUJIIOOXAKJMB-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 | 1,2-diolsacyl monophosphatesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic phosphoric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatepyrimidonecarboxylic acid derivativepyrimidinebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranacyl monophosphateheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeacyl phosphate |
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