| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:04 UTC |
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| Update Date | 2025-03-21 17:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024446 |
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| Frequency | 159.5 |
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| Structure | |
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| Chemical Formula | C8H18N2O2 |
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| Molecular Mass | 174.1368 |
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| SMILES | CC(C)CC(N)C(=O)NCCO |
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| InChI Key | SWVVOFQOQQHCRU-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 acyclic compounds |
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| Alternative Parents | alcohols and polyolsalkanolaminesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acylethanolaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupalpha-amino acid amidefatty amidecarboxamide groupn-acylethanolaminen-acyl-aminesecondary carboxylic acid amideorganic oxideorganic oxygen compoundleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundalkanolamine |
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