Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:38:30 UTC |
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Update Date | 2025-03-25 00:45:56 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02152288 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C11H16N4O5S |
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Molecular Mass | 316.0841 |
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SMILES | NC(CSCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)O |
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InChI Key | MPRPJYAGFGKPFV-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 | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativesorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amideazacyclen-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundcarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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