| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:49 UTC |
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| Update Date | 2025-03-21 17:59:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019372 |
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| Frequency | 211.6 |
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| Structure | |
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| Chemical Formula | C11H23N3O3 |
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| Molecular Mass | 245.1739 |
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| SMILES | CCC(C)C(N)C(=O)NCCCC(N)C(=O)O |
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| InChI Key | TZMVEYUAOPRBIS-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 acidsbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic 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 derivativesalpha-amino acid amidecarboxamide groupbranched fatty acidn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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