| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:42 UTC |
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| Update Date | 2025-03-25 00:51:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189226 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H24N2O3 |
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| Molecular Mass | 256.1787 |
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| SMILES | CC(C)CC(N)C(=O)NC1CC(=O)OC1C(C)C |
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| InChI Key | HYXYPUPQHGJKHI-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupfatty amidelactoneorganic oxideleucine or derivativesaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid amidetetrahydrofurancarboxamide groupn-acyl-aminegamma butyrolactoneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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