| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:20 UTC |
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| Update Date | 2025-03-25 01:01:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250146 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H23F3N6O6S2 |
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| Molecular Mass | 540.1073 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(C(=O)NCC(=O)O)C(O)C1O |
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| InChI Key | BUMRKYOFJLRXMO-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl fluoridesalkylarylthioethersalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundspurine nucleosidespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amidessulfenyl compoundstetrahydrofurans |
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| Substituents | carboxylic acidmonosaccharideimidazopyrimidinearyl thioethersaccharideorganonitrogen compoundalpha-amino acidorganoheterocyclic compound1,2-diolalcoholsulfenyl compoundazacyclealkyl fluoridedialkylthioetherpurine nucleosideheteroaromatic compoundn-acylglycinesecondary aliphatic/aromatic aminesecondary carboxylic acid amidethioetherhydrocarbon derivativeaminecarbonyl groupamino acidalkylarylthioetherorganosulfur compoundorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazoletetrahydrofuranorganofluoridesecondary aminecarboxamide groupoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholpurineorganic nitrogen compoundorganooxygen compound |
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