| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:50 UTC |
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| Update Date | 2025-03-21 18:02:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040501 |
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| Frequency | 85.3 |
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| Structure | |
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| Chemical Formula | C12H18N4O8S |
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| Molecular Mass | 378.0845 |
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| SMILES | CC(=O)NC(CCC(=O)NC(CSN=O)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | PXWDKLGCJCLIOL-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 | oligopeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesacyl glycinesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesfatty acids and conjugatesglutamine and derivativeshydrocarbon derivativesn-acyl aminesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundnitrosothiolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideorganic s-nitroso compoundn-acyl-alpha amino acid or derivativesorganic nitroso compoundsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-acylglycinen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativealpha-oligopeptideorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
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