| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:59 UTC |
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| Update Date | 2025-03-25 00:51:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187615 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H18N2O8P+ |
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| Molecular Mass | 301.0795 |
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| SMILES | CC(C)(COP(=O)(O)O)C(O)C(=O)NCC[N+](=O)O |
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| InChI Key | IKFJXGQOYCMDML-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic phosphoric acids and derivatives |
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| Subclass | phosphate esters |
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| Direct Parent | monoalkyl phosphates |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | c-nitro compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesn-acyl aminesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupallyl-type 1,3-dipolar organic compoundfatty amidemonosaccharidecarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundsaccharideorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumalcoholorganic 1,3-dipolar compoundcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundmonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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