| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:19 UTC |
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| Update Date | 2025-03-21 18:37:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115978 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C16H19N3O5 |
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| Molecular Mass | 333.1325 |
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| SMILES | CC(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | TXFBSTFNXRYYNM-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 | acetamidesalpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspyrrolessecondary carboxylic acid amidesserine and derivatives |
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| Substituents | carbonyl groupcarboxylic acidindolealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundserine or derivativesorganooxygen compound |
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