| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:29:21 UTC |
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| Update Date | 2025-03-24 17:50:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00985132 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C5H8N2O2 |
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| Molecular Mass | 128.0586 |
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| SMILES | CC(C(=O)O)C(N)C#N |
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| InChI Key | PGBFKMBYPJRPQY-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 acidshydrocarbon derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidmethyl-branched fatty acidfatty acidbranched fatty acidbeta amino acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrileorganooxygen compound |
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