| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:58 UTC |
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| Update Date | 2025-03-21 18:31:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088316 |
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| Frequency | 32.1 |
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| Structure | |
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| Chemical Formula | C15H21ClN6O3 |
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| Molecular Mass | 368.1364 |
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| SMILES | CC(=O)NC(CCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)C(=O)O |
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| InChI Key | XEPBIPLFCMWXGN-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 | arginine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-arylbiguanidesacetamidesalpha amino acidsaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshydrocarbon derivativesiminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochlorideorganohalogen compoundorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compound1-arylbiguanideacetamiden-acyl-alpha amino acid or derivativesaryl chloridechlorobenzenen-acyl-alpha-amino acidcarboximidamidecarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidearylbiguanidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
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