| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:49 UTC |
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| Update Date | 2025-03-21 18:28:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071274 |
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| Frequency | 42.1 |
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| Structure | |
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| Chemical Formula | C6H6N2O3S |
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| Molecular Mass | 186.0099 |
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| SMILES | O=C(O)CNC(=O)c1cscn1 |
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| InChI Key | OKQZQWACTBCZPR-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiazolecarboxamides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundthiazolecarboxylic acid or derivatives2-heteroaryl carboxamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundthiazolecarboxamidethiazoleorganooxygen compound |
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