| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:42 UTC |
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| Update Date | 2025-03-21 18:36:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109633 |
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| Frequency | 24.4 |
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| Structure | |
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| Chemical Formula | C10H18N2O4 |
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| Molecular Mass | 230.1267 |
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| SMILES | CC(C)C(N)C(=O)NCCCC(=O)C(=O)O |
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| InChI Key | YTHPEVGBAJKTAI-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 ketonesalpha-keto acids and derivativesbranched fatty acidscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain keto acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideshort-chain keto acidalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundalpha-amino acid amidevaline or derivativescarboxamide groupbranched fatty acidn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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