| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:58 UTC |
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| Update Date | 2025-03-25 00:49:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176146 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14F3N5O2S |
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| Molecular Mass | 325.082 |
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| SMILES | Nc1nc(SCCC(F)(F)F)nc(N)c1CC(N)C(=O)O |
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| InChI Key | CTOMZOXQKNBSSX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundspyrimidines and pyrimidine derivativessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidalkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideimidolactamorganoheterocyclic compoundsulfenyl compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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