| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:55 UTC |
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| Update Date | 2025-03-25 00:47:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160021 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23N4O11P |
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| Molecular Mass | 490.1101 |
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| SMILES | O=c1[nH]c(=O)n(C2OC(COP(=O)(O)O)C(O)C2O)c2[nH]cc(CNC3C=CC(O)C3O)c12 |
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| InChI Key | XDMXITSTGZGNMY-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 | azacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepentose-5-phosphatepyrimidonepyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidesecondary aliphatic aminecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundsecondary amineoxacyclephosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamine |
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