| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:13 UTC |
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| Update Date | 2025-03-25 00:48:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167527 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O7 |
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| Molecular Mass | 302.1114 |
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| SMILES | CC(=O)NC1CC(NC(C)=O)C(OC(=O)C(=O)O)CC1O |
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| InChI Key | BPSFQAKKNNVNJA-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 | alcohols and polyols |
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| Direct Parent | cyclohexanols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidcyclohexanolcyclic alcoholcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidecarboxylic acid esterorganonitrogen compoundaliphatic homomonocyclic compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamide |
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