| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:13:25 UTC |
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| Update Date | 2025-03-21 18:33:06 UTC |
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| HMDB ID | HMDB0244500 |
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| Metabolite Identification |
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| DeepMet ID | DMID00094213 |
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| Name | (2S,3S)-2-Amino-N-benzyl-3-methylpentanamide |
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| Frequency | 29.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O |
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| Molecular Mass | 220.1576 |
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| SMILES | CCC(C)C(N)C(=O)NCc1ccccc1 |
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| InChI Key | QCNUBIUWWWTVLZ-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupalpha-amino acid amidefatty amidecarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundisoleucine or derivativesorganooxygen compound |
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