| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:50:11 UTC |
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| Update Date | 2025-03-24 14:36:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00890900 |
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| Frequency | 1.6 |
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| Structure | |
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| Chemical Formula | C5H7NO3 |
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| Molecular Mass | 129.0426 |
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| SMILES | CC(O)C(C#N)C(=O)O |
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| InChI Key | CCWCEPATKGFEFG-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | branched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidshort-chain hydroxy acidfatty acidcarboxylic acid derivativebranched fatty acidbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativehydroxy fatty acidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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