| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:33:24 UTC |
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| Update Date | 2025-03-21 17:56:05 UTC |
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| HMDB ID | HMDB0028900 |
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| Metabolite Identification |
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| DeepMet ID | DMID00000034 |
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| Name | Isoleucyl-Alanine |
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| Frequency | 34642.8 |
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| Structure | |
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| Chemical Formula | C9H18N2O3 |
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| Molecular Mass | 202.1317 |
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| SMILES | CCC(C)C(N)C(=O)NC(C)C(=O)O |
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| InChI Key | RCFDOSNHHZGBOY-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesisoleucine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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