| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:00 UTC |
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| Update Date | 2025-03-25 00:59:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237848 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N5O10P |
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| Molecular Mass | 423.0791 |
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| SMILES | Nc1nc2c(c(=O)[nH]1)N(C1OC(COP(=O)(O)O)C(O)C1O)C(C(=O)O)CN2 |
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| InChI Key | UWBLWXLKDLJZAJ-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-diolsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespterin carboxylatespyrimidonessecondary alcoholssecondary alkylarylaminestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpentose phosphateamino acid or derivativesamino acidpentose-5-phosphatepyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylamineimidolactamorganoheterocyclic compound1,2-diolalcoholvinylogous amidepterinazacycletetrahydrofuranheteroaromatic compoundpterin-6-carboxylatesecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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