| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:33 UTC |
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| Update Date | 2025-03-25 00:51:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186596 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N4O4S |
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| Molecular Mass | 272.0579 |
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| SMILES | NCC(=O)NC(Cc1c[nH]c(=S)[nH]c1=O)C(=O)O |
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| InChI Key | GPRMWPLSNBRCNF-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 | 2-thiopyrimidinesalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidinethionespyrimidonessecondary carboxylic acid amidesthioureasvinylogous amides |
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| Substituents | carbonyl groupthiourealactamcarboxylic acidpyrimidinethionearomatic heteromonocyclic compoundpyrimidonealpha-amino acid or derivativesorganosulfur compoundpyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-thiopyrimidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amidealpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundthiopyrimidine |
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