| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:05 UTC |
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| Update Date | 2025-03-21 17:57:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006319 |
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| Frequency | 820.5 |
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| Structure | |
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| Chemical Formula | C5H9NO4S |
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| Molecular Mass | 179.0252 |
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| SMILES | O=C(O)CNC(CS)C(=O)O |
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| InChI Key | VUCDIRJQEQYQRN-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfur compounds |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidsecondary amineorganosulfur compoundorganic oxideorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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