| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:20 UTC |
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| Update Date | 2025-03-21 18:28:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072526 |
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| Frequency | 41.2 |
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| Structure | |
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| Chemical Formula | C9H14N4O3S |
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| Molecular Mass | 258.0787 |
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| SMILES | CC(N)C(=O)NC(Cc1c[nH]c(=S)[nH]1)C(=O)O |
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| InChI Key | SNWHZOFIBJNYBJ-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundimidazole-2-thionealpha-amino acid or derivativesorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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