| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:31 UTC |
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| Update Date | 2025-03-25 00:49:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177427 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H9NO5S |
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| Molecular Mass | 183.0201 |
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| SMILES | CNCC(C(=O)O)S(=O)(=O)O |
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| InChI Key | HCBRSLGJCFNOAV-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 | amino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic amineorganosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acidorganosulfonic acidsecondary amineorganosulfur compoundbeta amino acid or derivativesorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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