| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:33 UTC |
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| Update Date | 2025-03-21 18:31:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087345 |
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| Frequency | 32.6 |
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| Structure | |
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| Chemical Formula | C10H14N2O7S |
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| Molecular Mass | 306.0522 |
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| SMILES | O=C(O)CNC(=O)C(CS)NC(=O)CCC(=O)C(=O)O |
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| InChI Key | PMIVQUCENWNWHX-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 acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidesshort-chain keto acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonealpha peptideketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundalpha-amino acid amidecarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundketo acidcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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