| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:44 UTC |
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| Update Date | 2025-03-21 18:41:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135719 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C6H8N3O4S+ |
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| Molecular Mass | 218.023 |
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| SMILES | O=C(O)C(Cc1c[nH]c(=S)[nH]1)[N+](=O)O |
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| InChI Key | RSCSNEUZXFNXIE-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 | azacyclic compoundsc-nitro compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundimidazole-2-thioneorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideimidazolec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumorganoheterocyclic compoundazoleazacycleheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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