| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:03 UTC |
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| Update Date | 2025-03-21 18:33:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095724 |
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| Frequency | 28.9 |
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| Structure | |
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| Chemical Formula | C5H9NO6S |
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| Molecular Mass | 211.0151 |
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| SMILES | CS(=O)(=O)NC(CC(=O)O)C(=O)O |
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| InChI Key | WITPWJNAVYJIOP-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 acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidaminosulfonyl compoundfatty acidorganosulfur compoundorganosulfonic acid amideorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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