| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:30 UTC |
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| Update Date | 2025-03-21 18:03:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044548 |
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| Frequency | 75.9 |
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| Structure | |
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| Chemical Formula | C7H14N2O5S |
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| Molecular Mass | 238.0623 |
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| SMILES | CC(=O)NCCC(=O)NCCS(=O)(=O)O |
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| InChI Key | OHFIMXHALZWCSU-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 | acetamidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic 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 derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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