| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:16 UTC |
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| Update Date | 2025-03-21 18:41:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136963 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C8H12N2O6S |
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| Molecular Mass | 264.0416 |
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| SMILES | NC(=O)NC(CCSCC(=O)C(=O)O)C(=O)O |
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| InChI Key | KWXAYUMBQIOHJB-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 | n-carbamoyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain keto acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundcarbonic acid derivativesulfenyl compounddialkylthioethern-carbamoyl-alpha-amino acidthia fatty acidorganic oxygen compoundthioetherketo aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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