| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:19 UTC |
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| Update Date | 2025-03-21 18:38:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123082 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C7H10N4O3S |
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| Molecular Mass | 230.0474 |
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| SMILES | NC(=O)NC(Cc1c[nH]c(=S)[nH]1)C(=O)O |
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| InChI Key | RNYQZCBHZKVGOR-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-carbamoyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundimidazole-2-thioneorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolecarbonic acid derivativeazacyclen-carbamoyl-alpha-amino acidheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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