| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:43 UTC |
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| Update Date | 2025-03-21 17:59:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023618 |
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| Frequency | 166.3 |
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| Structure | |
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| Chemical Formula | C11H19N3O5S2 |
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| Molecular Mass | 337.0766 |
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| SMILES | NC(CSSCC(N)C(=O)N1CCCC1C(=O)O)C(=O)O |
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| InChI Key | JWDLZKXZQYZBFH-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssulfenyl compoundstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidn-acylpyrrolidinealpha-amino acid or derivativesorganosulfur compoundorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativessulfenyl compoundalpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidedialkyldisulfidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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