| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:39 UTC |
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| Update Date | 2025-03-21 18:30:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080584 |
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| Frequency | 36.1 |
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| Structure | |
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| Chemical Formula | C14H16BrN3O3 |
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| Molecular Mass | 353.0375 |
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| SMILES | NCCC(=O)NC(Cc1c[nH]c2ccc(Br)cc12)C(=O)O |
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| InChI Key | VJYZQYWUSIWYDB-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsaryl bromidesazacyclic compoundsbenzenoidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidindolealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupbeta amino acid or derivativesaryl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehybrid peptideorganobromidehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundaryl bromideorganooxygen compound |
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