| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:08 UTC |
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| Update Date | 2025-03-25 00:53:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199275 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15ClN2O3S |
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| Molecular Mass | 302.0492 |
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| SMILES | Cc1cccc(Cl)c1NC(=O)CSCC(N)C(=O)O |
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| InChI Key | HHHYKFOMKJLTBM-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 acidsanilidesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzenesdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochloriden-arylamideorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenesulfenyl compounddialkylthioethercarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenetolueneorganooxygen compound |
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