| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:33:53 UTC |
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| Update Date | 2025-03-21 17:56:25 UTC |
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| HMDB ID | HMDB0028741 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001215 |
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| Name | Asparaginyl-Threonine |
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| Frequency | 4798.4 |
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| Structure | |
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| Chemical Formula | C8H15N3O5 |
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| Molecular Mass | 233.1012 |
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| SMILES | CC(O)C(NC(=O)C(N)CC(N)=O)C(=O)O |
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| InChI Key | VBKIFHUVGLOJKT-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 acidsasparagine and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidefatty acidalpha-amino acid or derivativesbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidasparagine or derivativesn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amiden-acyl-alpha-amino acidhydroxy acidcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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