| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:53:10 UTC |
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| Update Date | 2025-03-21 18:03:43 UTC |
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| HMDB ID | HMDB0250607 |
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| Metabolite Identification |
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| DeepMet ID | DMID00046154 |
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| Name | Cyanoacetic acid |
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| Frequency | 72.7 |
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| Structure | |
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| Chemical Formula | C3H3NO2 |
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| Molecular Mass | 85.0164 |
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| SMILES | N#CCC(=O)O |
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| InChI Key | MLIREBYILWEBDM-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 | carboxylic acids |
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| Direct Parent | carboxylic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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