| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:23 UTC |
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| Update Date | 2025-03-25 00:54:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209024 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16N2O5 |
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| Molecular Mass | 232.1059 |
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| SMILES | CC(C)C(N)C(=O)NC(=O)CC(O)C(=O)O |
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| InChI Key | AHLRFEWDEALSQY-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 | valine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsalpha hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboximideshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfatty acidcarboxylic acid imide, n-unsubstitutedorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty aciddicarboximidealcoholalpha-amino acid amidevaline or derivativeshydroxy acidbranched fatty acidn-acyl-aminecarboxylic acid imidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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