| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:33:34 UTC |
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| Update Date | 2025-03-21 17:56:10 UTC |
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| HMDB ID | HMDB0028764 |
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| Metabolite Identification |
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| DeepMet ID | DMID00000440 |
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| Name | Aspartyl-Tryptophan |
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| Frequency | 11954.7 |
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| Structure | |
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| Chemical Formula | C15H17N3O5 |
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| Molecular Mass | 319.1168 |
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| SMILES | NC(CC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | ZARXTZFGQZBYFO-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaspartic acid and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindolefatty amidealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundpyrroleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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