| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:41 UTC |
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| Update Date | 2025-03-25 01:01:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250962 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N2O2S |
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| Molecular Mass | 184.0306 |
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| SMILES | O=C(O)CCc1cnc(=S)[nH]c1 |
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| InChI Key | ICTAYMNMUAOYHD-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-thiopyrimidinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compounds |
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| Substituents | carbonyl groupcarboxylic acidpyrimidinethionearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compound2-thiopyrimidinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiopyrimidine |
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