| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:14 UTC |
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| Update Date | 2025-03-21 18:40:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129975 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C6H11NO7S |
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| Molecular Mass | 241.0256 |
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| SMILES | O=C(O)CC(NCCS(=O)(=O)O)C(=O)O |
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| InChI Key | LLSHAMSYHZEJBZ-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acidorganosulfonic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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