| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:31 UTC |
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| Update Date | 2025-03-25 01:00:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243607 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N2O4S2 |
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| Molecular Mass | 356.0864 |
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| SMILES | CC(=O)NC(CSC(=O)NCCSCc1ccccc1)C(=O)O |
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| InChI Key | LEHARVBCZNNBCJ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthiolactones |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneacetamidecarbonic acid derivativesulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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