| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:18:24 UTC |
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| Update Date | 2025-03-24 14:16:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00814642 |
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| Frequency | 1.8 |
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| Structure | |
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| Chemical Formula | C4H7N3O |
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| Molecular Mass | 113.0589 |
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| SMILES | N#CCCNC(N)=O |
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| InChI Key | KXLLKSHFFVQKTQ-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 | organic carbonic acids and derivatives |
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| Subclass | organic carbonic acids and derivatives |
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| Direct Parent | organic carbonic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarbonic acid derivativenitrileorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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