| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:52 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153148 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H24N2O11P2 |
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| Molecular Mass | 446.0855 |
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| SMILES | NC(=O)C1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)C(O)C2O)CCC1 |
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| InChI Key | QBHSEGWNRBQQLH-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 | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativescyclitols and derivativescyclohexanolscyclohexylaminesenamineshydrocarbon derivativesmonoalkyl phosphatesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidestetrahydropyridinestrialkylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupamino acid or derivativescyclohexylaminecarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundalcoholvinylogous amideazacycle1,2-aminoalcoholtertiary aliphatic aminecyclohexanoltetrahydropyridinecyclitol or derivativescyclic alcoholcarboxamide grouporganic pyrophosphatephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compoundenamine |
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