| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:21:48 UTC |
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| Update Date | 2025-03-21 19:12:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00254934 |
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| Frequency | 26.9 |
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| Structure | |
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| Chemical Formula | C8H10N6O3S |
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| Molecular Mass | 270.0535 |
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| SMILES | Nc1nc2nc(SCC(N)C(=O)O)[nH]c2c(=O)[nH]1 |
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| InChI Key | ZQPCQCOUCIWXKG-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidonessulfenyl compounds |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acidpyrimidoneimidazopyrimidinealkylarylthioetherorganosulfur compoundaryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshypoxanthinehydrocarbon derivativeprimary aliphatic amineprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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