| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:23:11 UTC |
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| Update Date | 2025-03-24 20:44:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01546044 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | CC(=O)C1=NCCCO1 |
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| InChI Key | CVAFZVAINQSEBZ-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 | carboximidic acids and derivatives |
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| Subclass | imidoesters |
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| Direct Parent | imidoesters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupazacycleorganic 1,3-dipolar compoundimido esterpropargyl-type 1,3-dipolar organic compoundketoneoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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