| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:23 UTC |
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| Update Date | 2025-03-21 18:38:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120887 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C7H14N2O4S |
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| Molecular Mass | 222.0674 |
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| SMILES | O=C(NCCS(=O)(=O)O)C1CCCN1 |
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| InChI Key | PZZLYPHENDSLTB-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 acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidspyrrolidinecarboxamidessecondary carboxylic acid amidessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl grouporganosulfonic acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic aminealpha-amino acid amideazacyclesecondary aminecarboxamide groupsecondary carboxylic acid amidesulfonylpyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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