| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:32 UTC |
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| Update Date | 2025-03-21 17:57:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009741 |
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| Frequency | 490.6 |
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| Structure | |
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| Chemical Formula | C14H21ClN6O2 |
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| Molecular Mass | 340.1415 |
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| SMILES | N=C(NCCCCC(N)C(=O)O)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | YEPNCXJEIADIEK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | guanidines |
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| Direct Parent | 1-arylbiguanides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridescarbocyclic fatty acidscarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshalogenated fatty acidshydrocarbon derivativesiminesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidimineorganochloridefatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxidealpha-amino acidorganopnictogen compoundmedium-chain fatty acid1-arylbiguanidearyl chloridechlorobenzenehalogenated fatty acidcarboximidamidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic aminehalobenzeneorganooxygen compound |
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