| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:39 UTC |
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| Update Date | 2025-03-25 00:57:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223660 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19ClN4O4S |
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| Molecular Mass | 374.0816 |
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| SMILES | N=C(Nc1ccc(Cl)cc1)NC(CSCCC(N)C(=O)O)C(=O)O |
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| InChI Key | CGEIFAFBWRTMAV-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenesdialkylthioethersdicarboxylic acids and derivativesfatty acylsguanidineshydrocarbon derivativesiminesmonoalkylaminesorganic oxidesorganochloridesorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochlorideorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenesulfenyl compounddialkylthioethercarboximidamidearyl halidearomatic homomonocyclic compoundthia fatty acidorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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