| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:14 UTC |
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| Update Date | 2025-03-25 00:51:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188155 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N3O3 |
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| Molecular Mass | 263.127 |
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| SMILES | CC(=O)NC1C=CC(N2C=CCC(C(N)=O)=C2)C1O |
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| InChI Key | YIQICHCNDMBTTJ-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 | pyridinecarboxylic acids and derivatives |
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| Direct Parent | n-substituted nicotinamides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessecondary alcoholssecondary carboxylic acid amidestrialkylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupamino acid or derivativescarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridinetertiary amineacetamidealcoholvinylogous amideazacycletertiary aliphatic aminecarboxamide groupn-substituted nicotinamidesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundenamine |
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