| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:39 UTC |
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| Update Date | 2025-03-21 18:34:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099608 |
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| Frequency | 27.5 |
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| Structure | |
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| Chemical Formula | C7H10N3O3S+ |
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| Molecular Mass | 216.0437 |
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| SMILES | C[N+](=O)C(Cc1c[nH]c(=S)[nH]1)C(=O)O |
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| InChI Key | MDBUSMQDHYSWRQ-UHFFFAOYSA-O |
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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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminoxidesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganopnictogen compoundsthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundimidazole-2-thioneorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic oxoazaniumorganoheterocyclic compoundazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundaminoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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