| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:14:13 UTC |
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| Update Date | 2025-03-21 19:07:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00237129 |
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| Frequency | 9.0 |
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| Structure | |
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| Chemical Formula | C5H9N3O |
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| Molecular Mass | 127.0746 |
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| SMILES | CC(N)C(=O)NCC#N |
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| InChI Key | WKZYMIJMVHPVRU-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 | alpha amino acid amides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupnitrilealpha-amino acid amidecarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalanine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrileorganooxygen compound |
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