| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:38 UTC |
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| Update Date | 2025-03-21 18:06:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061337 |
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| Frequency | 50.8 |
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| Structure | |
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| Chemical Formula | C8H12N4O3S |
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| Molecular Mass | 244.063 |
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| SMILES | NC(Cc1c[nH]c(=S)[nH]1)C(=O)NCC(=O)O |
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| InChI Key | VJKJSZGGONGNJB-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdipeptidesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthioureas |
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| Substituents | fatty acylcarbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundfatty amideimidazole-2-thioneorganosulfur compoundalpha peptideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolealpha-amino acid amideazacycleheteroaromatic compoundcarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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