| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:55 UTC |
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| Update Date | 2025-03-25 00:53:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198738 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O10P2 |
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| Molecular Mass | 416.075 |
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| SMILES | NC(=O)C1=CN(C2CC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)CCC1 |
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| InChI Key | XKSMLBACAMSUFC-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-aminoalcohols1,2-diolsamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativescyclic alcohols and derivativescyclopentanolsenamineshydrocarbon derivativesmonoalkyl phosphatesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidestetrahydropyridinestrialkylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupamino acid or derivativescarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycle1,2-aminoalcoholtertiary aliphatic aminetetrahydropyridinecyclic alcoholcarboxamide grouporganic pyrophosphatecyclopentanolphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compoundenamine |
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