| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:17 UTC |
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| Update Date | 2025-03-21 18:33:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096281 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C6H11NO5S |
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| Molecular Mass | 209.0358 |
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| SMILES | CS(=O)(=O)CCC(NC=O)C(=O)O |
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| InChI Key | CTJDQIXKLUWLBN-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 acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfonesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidsulfonyln-formyl-alpha-amino acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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