| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:48 UTC |
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| Update Date | 2025-03-21 18:30:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083302 |
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| Frequency | 34.6 |
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| Structure | |
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| Chemical Formula | C13H21N3O7S |
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| Molecular Mass | 363.11 |
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| SMILES | CC(C)C(CCC(=O)NC(CSN=O)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | DEWPYJKUFZPWLH-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 | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesmethyl-branched fatty acidsn-acyl aminesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidorganosulfur compoundalpha peptidenitrosothiolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic s-nitroso compoundorganic nitroso compoundmethyl-branched fatty acidsulfenyl compoundalpha-amino acid amidecarboxamide groupbranched fatty acidn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
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