| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:44 UTC |
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| Update Date | 2025-03-25 00:46:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152835 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H30ClN7O3 |
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| Molecular Mass | 439.2099 |
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| SMILES | N=C(NCCCCC(=O)NCCCCC(N)C(=O)O)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | QNRUKCMFECJTDK-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-arylbiguanidesalpha amino acidsaryl chloridescarbocyclic fatty acidscarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshalogenated fatty acidshydrocarbon derivativesiminesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochloridefatty amidefatty acidalpha-amino acid or derivativesorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesmedium-chain fatty acid1-arylbiguanidearyl chloridechlorobenzenehalogenated fatty acidcarboximidamidecarboxamide groupn-acyl-aminearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidearylbiguanidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
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