| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:33:41 UTC |
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| Update Date | 2025-03-21 17:56:14 UTC |
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| HMDB ID | HMDB0028746 |
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| Metabolite Identification |
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| DeepMet ID | DMID00000726 |
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| Name | Aspartyl-Alanine |
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| Frequency | 7960.8 |
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| Structure | |
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| Chemical Formula | C7H12N2O5 |
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| Molecular Mass | 204.0746 |
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| SMILES | CC(NC(=O)C(N)CC(=O)O)C(=O)O |
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| InChI Key | DVUFTQLHHHJEMK-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 acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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