| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:30 UTC |
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| Update Date | 2025-03-25 01:00:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243600 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11N5O4S |
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| Molecular Mass | 297.0532 |
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| SMILES | CC(=O)NC(CSc1ncnc2[nH]c(=O)[nH]c12)C(=O)O |
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| InChI Key | YQKDQKXXFDIBSC-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalkylarylthioethersalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspurinonespyrimidines and pyrimidine derivativessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidimidazopyrimidinealkylarylthioetherorganosulfur compoundaryl thioetherpurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamideazolecarbonic acid derivativesulfenyl compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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