| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:09:31 UTC |
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| Update Date | 2025-03-24 21:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01941992 |
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| Frequency | 0.6 |
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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#CC(N)CC(N)=O |
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| InChI Key | SMFJDCUIXOGWNP-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupnitrilefatty amidecarboxamide groupbeta amino acid or derivativesorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrileorganooxygen compound |
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