| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:33:10 UTC |
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| Update Date | 2025-03-25 01:28:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02416140 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7NO3 |
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| Molecular Mass | 141.0426 |
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| SMILES | CCC(=O)C(C#N)C(=O)O |
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| InChI Key | TXDMYCDAEFMCOP-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 | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidmethyl-branched fatty acidshort-chain keto acidcarboxylic acid derivativebranched fatty acidbeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundcarbonitrileorganooxygen compound |
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