Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:19:43 UTC |
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Update Date | 2025-03-21 18:36:15 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00109659 |
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Frequency | 24.4 |
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Structure | |
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Chemical Formula | C9H13N2O9P |
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Molecular Mass | 324.0359 |
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SMILES | O=c1ccn(C2C(O)OC(COP(=O)(O)O)C2O)c(=O)[nH]1 |
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InChI Key | HFZKAVZPGCQXIN-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 | azacyclic compoundshemiacetalsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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Substituents | lactamaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatepyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetalorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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