| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:39 UTC |
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| Update Date | 2025-03-25 00:50:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182285 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8N2O2S |
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| Molecular Mass | 172.0306 |
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| SMILES | O=C(O)C1CN2CSCC2=N1 |
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| InChI Key | ULSUQJRJCHVKQQ-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 heteropolycyclic compounds |
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| Alternative Parents | amidinesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethershydrocarbon derivativesimidazolinesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl groupcarboxylic acidamidinepropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundcarboximidamidemonocarboxylic acid or derivativesorganic oxygen compound2-imidazolinethioetherimidazolinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
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