| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:15:55 UTC |
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| Update Date | 2025-03-24 19:58:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01096008 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C6H8N2O2 |
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| Molecular Mass | 140.0586 |
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| SMILES | CC(=O)NC1CC=NC1=O |
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| InChI Key | VDVKDSZYMXTNLE-UHFFFAOYSA-N |
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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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acyliminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | n-acyliminecarbonyl groupazacyclen-acyl-alpha-amino acidorganic 1,3-dipolar compoundcarboxamide grouppropargyl-type 1,3-dipolar organic compoundsecondary carboxylic acid amideorganic oxidepyrrolineorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundacetamideorganooxygen compound |
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