| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:27:47 UTC |
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| Update Date | 2025-03-21 20:56:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00408720 |
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| Frequency | 4.4 |
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| Structure | |
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| Chemical Formula | C4H5NO3 |
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| Molecular Mass | 115.0269 |
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| SMILES | N#CC(O)CC(=O)O |
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| InChI Key | JUBQWIQZJYAKGO-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 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 acidcarbonitrilealcoholmonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydroxynitrilesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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