| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:33:26 UTC |
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| Update Date | 2025-03-21 17:56:06 UTC |
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| HMDB ID | HMDB0028917 |
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| Metabolite Identification |
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| DeepMet ID | DMID00000123 |
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| Name | Isoleucyl-Threonine |
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| Frequency | 22400.7 |
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| Structure | |
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| Chemical Formula | C10H20N2O4 |
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| Molecular Mass | 232.1423 |
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| SMILES | CCC(C)C(N)C(=O)NC(C(=O)O)C(C)O |
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| InChI Key | DRCKHKZYDLJYFQ-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 | alpha amino acid amidesalpha amino acidsbeta hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsisoleucine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidefatty acidalpha-amino acid or derivativesbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidisoleucine or derivativesn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amiden-acyl-alpha-amino acidhydroxy acidcarboxamide groupbranched fatty acidn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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