| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:13 UTC |
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| Update Date | 2025-03-25 00:51:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188120 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O2S |
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| Molecular Mass | 213.0572 |
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| SMILES | CC(=O)NCCc1cc(=O)[nH]c(=S)[nH]1 |
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| InChI Key | QKKJTLLDDNIZIS-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 | pyrimidinethiones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-thiopyrimidinesacetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessecondary carboxylic acid amidesthioureasvinylogous amides |
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| Substituents | carbonyl groupthiourealactampyrimidinethionearomatic heteromonocyclic compoundpyrimidoneorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-thiopyrimidineacetamidevinylogous amideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiopyrimidine |
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