| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:53 UTC |
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| Update Date | 2025-03-21 18:36:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112470 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C9H14N2O4S2 |
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| Molecular Mass | 278.0395 |
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| SMILES | NC(CSC(=S)N1CCCC1C(=O)O)C(=O)O |
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| InChI Key | MDCJMVNLKHWQFR-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesdithiocarbamic acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine carboxylic acidssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidorganosulfur compoundorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessulfenyl compoundazacycledithiocarbamic acid esterpyrrolidine carboxylic acid or derivativesorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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