| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:01 UTC |
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| Update Date | 2025-03-21 18:40:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129464 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C7H13NO5S |
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| Molecular Mass | 223.0514 |
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| SMILES | O=C(O)C1CCCN1CCS(=O)(=O)O |
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| InChI Key | RGEYBPVUBCRSFI-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 | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsorganosulfonic acidspyrrolidine carboxylic acidssulfonylstrialkylamines |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acidorganosulfonic acidorganosulfur compoundorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesazacyclen-alkylpyrrolidinetertiary aliphatic aminemonocarboxylic acid or derivativessulfonylpyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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