| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:05 UTC |
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| Update Date | 2025-03-25 01:00:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242602 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16N2O5S |
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| Molecular Mass | 276.078 |
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| SMILES | CC(=O)CCC(=O)NC(CS)C(=O)NCC(=O)O |
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| InChI Key | PCHZJACQQPBHAM-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 | alkylthiolsalpha amino acid amidesalpha amino acidscarboxylic acidscysteine and derivativesdipeptideshydrocarbon derivativesketonesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideorganosulfur compoundalpha peptideketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amidecarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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