| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:59 UTC |
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| Update Date | 2025-03-21 18:29:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078993 |
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| Frequency | 37.0 |
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| Structure | |
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| Chemical Formula | C5H12N2O4S |
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| Molecular Mass | 196.0518 |
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| SMILES | NCCC(=O)NCCS(=O)(=O)O |
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| InChI Key | DCJDQVUQXFTGTR-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl grouporganosulfonic acidorganosulfur compoundcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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