| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:38 UTC |
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| Update Date | 2025-03-25 00:53:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198075 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N5O3S |
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| Molecular Mass | 269.0583 |
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| SMILES | Cn1c(=O)[nH]c2c(SCC(N)C(=O)O)ncnc21 |
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| InChI Key | UMBLHKBCCCGGMS-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspurinonespyrimidines and pyrimidine derivativessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidimidazopyrimidinealkylarylthioetherorganosulfur compoundaryl thioetherpurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolecarbonic acid derivativesulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativepurineprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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