| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:42 UTC |
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| Update Date | 2025-03-25 00:51:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189223 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H26BrN3O |
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| Molecular Mass | 403.1259 |
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| SMILES | CC(C)CC(N)C(=O)NCCC(c1ccc(Br)cc1)c1ccccn1 |
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| InChI Key | VGYCNBXFSOGXQC-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 | leucine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acid amidesalpha amino acidsaryl bromidesazacyclic compoundsbromobenzenescarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesmonoalkylaminesn-acyl aminesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundfatty amideorganohalogen compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundbromobenzenemethylpyridinecarboxamide groupn-acyl-aminearyl halidesecondary carboxylic acid amidepyridineorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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