| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:05 UTC |
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| Update Date | 2025-03-21 18:41:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136521 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C10H16N4O7S |
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| Molecular Mass | 336.074 |
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| SMILES | NC(O)C(=O)CCC(=O)NC(CSN=O)C(=O)NCC(=O)O |
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| InChI Key | KOEGPGPUNYHVLI-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 | aliphatic acyclic compounds |
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| Alternative Parents | alkanolaminesalpha amino acid amidesalpha amino acidsalpha-hydroxy ketonescarboxylic acidscysteine and derivativesdelta amino acids and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidemonosaccharideorganosulfur compoundalpha-hydroxy ketonealpha peptidenitrosothiolketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesorganic s-nitroso compoundalkanolamineorganic nitroso compoundsulfenyl compoundalpha-amino acid amidecarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
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