| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:16 UTC |
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| Update Date | 2025-03-21 18:30:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082019 |
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| Frequency | 35.3 |
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| Structure | |
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| Chemical Formula | C15H16BrN3O4 |
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| Molecular Mass | 381.0324 |
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| SMILES | NC(=O)CCC(NC(=O)Cc1c[nH]c2ccc(Br)cc12)C(=O)O |
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| InChI Key | PMGJDDKRZBQWAH-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 | glutamine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsaryl bromidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrolessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidglutamine or derivativesindolefatty amideorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide grouparyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrroleorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compound |
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