| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:30 UTC |
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| Update Date | 2025-03-25 01:00:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243601 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO6S |
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| Molecular Mass | 277.062 |
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| SMILES | CC(=O)NC(CSC(CC(=O)O)C(C)=O)C(=O)O |
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| InChI Key | QOUADUVNRCRDQW-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-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain keto acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupgamma-keto acidsecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioetherketo acidcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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