| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:32 UTC |
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| Update Date | 2025-03-25 00:54:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207027 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O14P2 |
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| Molecular Mass | 462.0077 |
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| SMILES | O=C(O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)C=C(C(=O)O)N1 |
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| InChI Key | UPBCITOJKHLSIK-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesenamineshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidpentose phosphateamino acid or derivativesamino acidpentose-5-phosphatealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amidesecondary aliphatic amineazacycletetrahydrofuransecondary amineorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamineenamine |
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