| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:47 UTC |
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| Update Date | 2025-03-21 18:36:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112240 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C8H11NO6S |
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| Molecular Mass | 249.0307 |
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| SMILES | O=CNC(CCSCC(=O)C(=O)O)C(=O)O |
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| InChI Key | AKMLPIHTXSEGNV-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-formyl-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 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 compoundalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboxamide groupsecondary carboxylic acid amidethia fatty acidn-formyl-alpha-amino acidorganic oxygen compoundthioetherketo aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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