| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:35 UTC |
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| Update Date | 2025-03-21 18:38:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119047 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C9H11NO3S |
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| Molecular Mass | 213.046 |
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| SMILES | CC(=O)NC(Cc1ccsc1)C(=O)O |
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| InChI Key | BAUPSKSGDPNCTJ-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 heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiophenes |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundn-acyl-alpha-amino acidheteroaromatic compoundthiophenecarboxamide groupsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundacetamideorganooxygen compound |
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