| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:40 UTC |
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| Update Date | 2025-03-21 17:58:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016804 |
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| Frequency | 334.4 |
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| Structure | |
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| Chemical Formula | C6H9NO5S |
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| Molecular Mass | 207.0201 |
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| SMILES | O=C(O)CNC(=O)CSCC(=O)O |
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| InChI Key | MBIGSBYFIBTGJP-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amideorganic oxideorganic oxygen compoundthioetherorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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