| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:23 UTC |
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| Update Date | 2025-03-21 18:03:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046703 |
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| Frequency | 71.6 |
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| Structure | |
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| Chemical Formula | C5H11NO5S |
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| Molecular Mass | 197.0358 |
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| SMILES | CC(NCCS(=O)(=O)O)C(=O)O |
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| InChI Key | VHYQDLYSULDZSO-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acidorganosulfonic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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