| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:35 UTC |
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| Update Date | 2025-03-25 00:47:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159302 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO7P+ |
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| Molecular Mass | 306.0737 |
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| SMILES | O=P(O)(O)OCC1OC([n+]2cccc(CO)c2)CC1O |
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| InChI Key | GYWOXRJWPXXYQS-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 | aromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic alcoholaromatic heteromonocyclic compoundpentose phosphateorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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