| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:14 UTC |
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| Update Date | 2025-03-25 00:55:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213479 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O3S |
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| Molecular Mass | 229.0521 |
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| SMILES | CN(CC(=O)O)C(=O)Cc1c[nH]c(=S)[nH]1 |
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| InChI Key | JQLNYDGBWLQJQF-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidesthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundimidazole-2-thioneorganosulfur compoundorganic oxideimidazoletertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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