| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:31 UTC |
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| Update Date | 2025-03-25 00:51:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184196 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N5O8P |
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| Molecular Mass | 389.0736 |
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| SMILES | NC(=O)c1cn(C2OC(COP(=O)(O)O)C(O)C2O)c2c(N)ncnc12 |
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| InChI Key | JXUBWOUWWOOJPW-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-diolsamino acids and derivativesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminesprimary carboxylic acid amidespyrimidines and pyrimidine derivativespyrrole carboxamidespyrrolopyrimidinessecondary alcoholssubstituted pyrrolestetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyrrole-3-carboxylic acid or derivativespentose phosphateamino acid or derivativespentose-5-phosphatesubstituted pyrrolecarboxylic acid derivativepyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundimidolactamorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclephosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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