| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:13:05 UTC |
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| Update Date | 2025-03-21 18:32:56 UTC |
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| HMDB ID | HMDB0245321 |
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| Metabolite Identification |
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| DeepMet ID | DMID00093447 |
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| Name | 2-Thiobarbituric acid |
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| Frequency | 29.8 |
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| Structure | |
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| Chemical Formula | C4H4N2O2S |
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| Molecular Mass | 143.9993 |
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| SMILES | O=C1CC(=O)NC(=S)N1 |
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| InChI Key | RVBUGGBMJDPOST-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | barbituric acid derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdiazinaneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiobarbituric acid derivativesthioureas |
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| Substituents | carbonyl groupthioureaazacyclebarbiturateorganosulfur compoundcarboxylic acid derivativethiobarbiturate1,3-diazinaneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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