| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:12 UTC |
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| Update Date | 2025-03-25 00:56:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220345 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16F3N5O2S2 |
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| Molecular Mass | 395.0698 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2CC(=O)O |
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| InChI Key | PSKSFWGROWQAHI-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 and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganofluoridesorganopnictogen compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alkylarylaminessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidalpha-amino acid or derivativesimidazopyrimidinealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamorganoheterocyclic compoundazolen-substituted imidazolesulfenyl compoundazacyclealkyl fluorideorganofluoridedialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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