| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:12 UTC |
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| Update Date | 2025-03-21 17:59:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022487 |
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| Frequency | 176.3 |
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| Structure | |
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| Chemical Formula | C11H16NO9P |
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| Molecular Mass | 337.0563 |
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| SMILES | O=C(O)C1=CN(C2OC(COP(=O)(O)O)C(O)C2O)C=CC1 |
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| InChI Key | UFUCYEBTFXPLJP-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acidsdihydropyridinesenamineshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidpentose phosphatepentose-5-phosphatecarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridineorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateenamine |
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