| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:52 UTC |
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| Update Date | 2025-03-21 17:57:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005848 |
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| Frequency | 898.9 |
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| Structure | |
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| Chemical Formula | C6H9NO4S |
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| Molecular Mass | 191.0252 |
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| SMILES | O=C(O)C1CSCC(C(=O)O)N1 |
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| InChI Key | MHRLWUPLSHYLOK-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsthiomorpholine carboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiomorpholine-3-carboxylic acidorganoheterocyclic compound1,4-thiazinanesecondary aliphatic amineazacycledialkylthioethersecondary amineorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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