| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:36 UTC |
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| Update Date | 2025-03-25 00:45:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152506 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7Cl3N2O2S |
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| Molecular Mass | 263.9294 |
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| SMILES | N=C(SCC(N)C(=O)O)C(Cl)(Cl)Cl |
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| InChI Key | MQOVALIMVWEYRN-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 | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesimidothioestersimidothioic acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl chlorideorganochlorideorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideimidothioic acid or derivativessulfenyl compoundimidothioestermonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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