| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:33:34 UTC |
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| Update Date | 2025-03-25 00:20:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01284458 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C5H7NO4 |
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| Molecular Mass | 145.0375 |
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| SMILES | CC(O)(C(=O)O)C(O)C#N |
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| InChI Key | IUSHYNFPPIWWTH-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 | 1,2-diolsalpha hydroxy acids and derivativesalpha-hydroxynitrilescarbonyl compoundscarboxylic acidscyanohydrinshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfatty acidcyanohydrincarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidcarbonitrile1,2-diolalcoholmethyl-branched fatty acidbranched fatty acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydroxynitrilesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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