| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:05 UTC |
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| Update Date | 2025-03-25 00:45:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148984 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N3O16P3 |
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| Molecular Mass | 555.0056 |
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| SMILES | Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)CC(O)C(=O)O)C(O)C2O)c(=O)n1 |
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| InChI Key | SDZSBZVYHKAAHO-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 heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic phosphonic acids and derivativesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundsprimary aminespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphateamino acid or derivativesamino acidalpha-hydroxy acidpentose-5-phosphatepyrimidonecarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundimidolactamorganophosphonic acid derivativeorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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