| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:14 UTC |
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| Update Date | 2025-03-25 00:59:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238351 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17NO13P2 |
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| Molecular Mass | 421.0175 |
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| SMILES | O=C(O)C1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)C(O)C1O |
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| InChI Key | LSAQNYVEIINONJ-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 | alkanolaminesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolinessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidpentose phosphatecarboxylic acid derivativebeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalkanolaminealcoholvinylogous amideazacycletetrahydrofuranhydroxy acidorganic pyrophosphateoxacyclemonocarboxylic acid or derivativespyrrolinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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