| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:52 UTC |
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| Update Date | 2025-03-25 00:56:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217222 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H17NO3 |
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| Molecular Mass | 175.1208 |
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| SMILES | CC(O)CCCC(CN)C(=O)O |
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| InChI Key | VQOSSCOAHACMDK-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidsbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidamino fatty acidbranched fatty acidmedium-chain hydroxy acidbeta amino acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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