Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:22:19 UTC |
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Update Date | 2025-03-21 18:37:29 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00115946 |
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Frequency | 22.7 |
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Structure | |
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Chemical Formula | C6H13NO3 |
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Molecular Mass | 147.0895 |
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SMILES | CCC(C)(O)C(N)C(=O)O |
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InChI Key | XHNHHUFIUAJZNF-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 | isoleucine and derivatives |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativestertiary alcohols |
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Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidisoleucine or derivativesalcoholmethyl-branched fatty acidbranched fatty acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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