| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:42:18 UTC |
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| Update Date | 2025-03-21 17:59:21 UTC |
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| HMDB ID | HMDB0060245 |
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| Metabolite Identification |
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| DeepMet ID | DMID00020437 |
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| Name | L-3-Cyanoalanine |
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| Frequency | 198.0 |
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| Structure | |
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| Chemical Formula | C4H6N2O2 |
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| Molecular Mass | 114.0429 |
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| SMILES | N#CCC(N)C(=O)O |
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| InChI Key | BXRLWGXPSRYJDZ-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 acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidfatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrileorganooxygen compound |
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