| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:51 UTC |
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| Update Date | 2025-03-25 00:54:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207753 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H6F3N5O2S |
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| Molecular Mass | 257.0194 |
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| SMILES | Nc1ncnc(N)c1NS(=O)(=O)C(F)(F)F |
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| InChI Key | TVFSAHGRTQDXTC-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 | pyrimidines and pyrimidine derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesaminosulfonyl compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganic sulfonamidesorganofluoridesorganopnictogen compoundsorganosulfonamidesprimary aminestrihalomethanes |
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| Substituents | organosulfonic acid or derivativesaromatic heteromonocyclic compoundorganosulfur compoundorganohalogen compoundpyrimidineorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamhalomethanetrihalomethaneazacycleaminosulfonyl compoundalkyl fluorideorganofluorideheteroaromatic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundorganic sulfonic acid amideamine |
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