| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:28 UTC |
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| Update Date | 2025-03-21 18:34:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101658 |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C10H15NO6 |
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| Molecular Mass | 245.0899 |
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| SMILES | CC(C)C(NC(=O)CCC(=O)C(=O)O)C(=O)O |
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| InChI Key | DTSAEWXIADBNBC-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain keto acids and derivativesvaline 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 compoundmethyl-branched fatty acidn-acyl-alpha-amino acidvaline or derivativescarboxamide groupbranched fatty acidn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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