| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:36 UTC |
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| Update Date | 2025-03-25 00:45:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152514 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N5O7P |
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| Molecular Mass | 375.0944 |
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| SMILES | N=c1[nH]c(=O)c2c(CNC3CC(O)C(COP(=O)(O)O)O3)c[nH]c2[nH]1 |
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| InChI Key | ZKLRNHAKOFVTDH-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 compoundsdialkylamineshemiaminalsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepyrimidonehemiaminalpyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidesecondary aliphatic amineazacycletetrahydrofuranheteroaromatic compoundsecondary amineoxacyclephosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamine |
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