| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:32:08 UTC |
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| Update Date | 2025-03-21 18:42:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00138972 |
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| Frequency | 34.3 |
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| Structure | |
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| Chemical Formula | C11H14N5O9P |
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| Molecular Mass | 391.0529 |
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| SMILES | Nc1ncnc2c1c(=O)[nH]c(=O)n2C1OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | NJKXVXYQYONLSA-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 derivativesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepentose-5-phosphatepyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compound1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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