| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:06 UTC |
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| Update Date | 2025-03-25 00:45:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149037 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8N2O3S |
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| Molecular Mass | 188.0256 |
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| SMILES | O=C1NC(C(=O)O)C2NC1CS2 |
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| InChI Key | VUOMKQZNAIPKEU-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperazine carboxylic acidspiperazinessecondary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesaliphatic heteropolycyclic compoundorganic oxidepiperazineorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioetherpiperazine-2-carboxylic acidsecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioether1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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