| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:38 UTC |
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| Update Date | 2025-03-25 00:49:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173043 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21NO5 |
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| Molecular Mass | 259.142 |
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| SMILES | CCC(C)C(NC(=O)CC(C)(C)C(=O)O)C(=O)O |
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| InChI Key | ZOURTEUQTGEGNH-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidn-acyl-alpha-amino acidcarboxamide groupbranched fatty acidn-acyl-aminesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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