| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:46 UTC |
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| Update Date | 2025-03-21 18:04:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052256 |
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| Frequency | 62.3 |
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| Structure | |
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| Chemical Formula | C10H22N2O3 |
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| Molecular Mass | 218.163 |
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| SMILES | CCC(C)C(N)C(=O)NC(CO)C(C)O |
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| InChI Key | ZNPPKLLXQAHURQ-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 acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupalpha-amino acid amidefatty amidecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundprimary alcoholisoleucine or derivativesorganooxygen compound |
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