| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:37 UTC |
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| Update Date | 2025-03-25 00:55:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214357 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25ClN6O2 |
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| Molecular Mass | 368.1728 |
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| SMILES | CCOC(=O)C(N)CCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | BGGIGAGIGUUUAR-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 | alpha amino acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-arylbiguanidesalpha amino acidsaryl chloridescarbonyl compoundscarboximidamidescarboxylic acid esterschlorobenzenesfatty acid estershydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupguanidineimineorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-arylbiguanidearyl chloridechlorobenzenealpha-amino acid estercarboximidamidearyl halidearomatic homomonocyclic compoundfatty acid esterarylbiguanidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
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