| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:50 UTC |
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| Update Date | 2025-03-21 17:58:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015064 |
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| Frequency | 290.1 |
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| Structure | |
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| Chemical Formula | C5H5NO4S |
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| Molecular Mass | 174.9939 |
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| SMILES | O=C(O)C1=NC(C(=O)O)SC1 |
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| InChI Key | BABLEUQBQGAEBB-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolecarboxylic acids and derivativesthiazolines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidmeta-thiazolineiminethiazolecarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundthiazoleorganooxygen compound |
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