| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:10:09 UTC |
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| Update Date | 2025-03-21 23:09:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00651368 |
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| Frequency | 2.4 |
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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(C(=O)O)C(O)C#N |
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| InChI Key | HSDUUZGPJNTEKZ-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 | alpha-hydroxynitrilescarbonyl compoundscarboxylic acidscyanohydrinshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidshort-chain hydroxy acidfatty acidcyanohydrincarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidcarbonitrilealcoholmethyl-branched fatty acidbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydroxynitrilesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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