| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:37 UTC |
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| Update Date | 2025-03-21 18:39:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123746 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C6H9N3OS |
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| Molecular Mass | 171.0466 |
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| SMILES | NCCc1c[nH]c(=S)[nH]c1=O |
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| InChI Key | CNAUEWVPRWUGSJ-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 compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonesthioureasvinylogous amides |
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| Substituents | vinylogous amidethiourealactampyrimidinethionearomatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidoneorganosulfur compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compound2-thiopyrimidinehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundthiopyrimidine |
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