| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:01:15 UTC |
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| Update Date | 2025-03-21 20:10:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00345912 |
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| Frequency | 5.5 |
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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(NCC#N)C(=O)O |
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| InChI Key | IGNLVMOWYFZZDM-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupnitrilecarboxylic acidamino acidsecondary amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compoundamine |
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