| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:10 UTC |
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| Update Date | 2025-03-25 00:46:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156190 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11NO4 |
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| Molecular Mass | 173.0688 |
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| SMILES | CC(=O)C1=NC(O)C(O)C(O)C1 |
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| InChI Key | LQPMCDVJUHKFQZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | hydropyridines |
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| Direct Parent | tetrahydropyridines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkanolaminesazacyclic compoundshydrocarbon derivativesketiminesketonesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholketiminecarbonyl groupazacycleiminetetrahydropyridineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundalkanolamine1,2-diol |
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