| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:11 UTC |
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| Update Date | 2025-03-21 18:29:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079461 |
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| Frequency | 36.7 |
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| Structure | |
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| Chemical Formula | C12H18N5O8P |
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| Molecular Mass | 391.0893 |
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| SMILES | N=c1[nH]c(=O)c2c(CNC3OC(COP(=O)(O)O)C(O)C3O)c[nH]c2[nH]1 |
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| InChI Key | NZLCTQRQOKWWBR-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 compoundsdialkylamineshemiaminalsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepentose-5-phosphatepyrimidonehemiaminalpyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amidesecondary aliphatic amineazacycletetrahydrofuranheteroaromatic compoundsecondary amineoxacyclephosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamine |
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