| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:36 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184371 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N6O2S |
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| Molecular Mass | 240.0429 |
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| SMILES | NC(CSc1nnc2[nH]cnc2n1)C(=O)O |
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| InChI Key | PIVALBYGUSKPDC-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 | 1,2,4-triazinesalkylarylthioethersalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativestriazinehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,2,4-triazineorganooxygen compound |
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