| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:44 UTC |
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| Update Date | 2025-03-25 00:59:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239487 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19ClN4O2S |
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| Molecular Mass | 330.0917 |
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| SMILES | N=C(Nc1ccc(Cl)cc1)NC(S)NCCCCC(=O)O |
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| InChI Key | IGMLJAKGOMHBRO-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 | alkylthiolsamino acidsaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenesdialkylaminesguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfur compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidguanidineimineorganochlorideorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesaryl chloridechlorobenzenesecondary aliphatic aminecarboximidamidesecondary aminearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenealkylthiolorganooxygen compoundamine |
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