| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:28 UTC |
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| Update Date | 2025-03-25 01:01:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252729 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H12N2O6S |
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| Molecular Mass | 240.0416 |
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| SMILES | NC(CS(=O)(=O)NCCC(=O)O)C(=O)O |
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| InChI Key | LTLUMKVTTJOQQN-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 | alpha amino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidaminosulfonyl compoundalpha-amino acid or derivativesorganosulfur compoundbeta amino acid or derivativesorganosulfonic acid amideorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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