| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:44 UTC |
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| Update Date | 2025-03-25 00:45:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150503 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H18N2O4S2 |
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| Molecular Mass | 294.0708 |
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| SMILES | NC(CSSCCN1CCCC1C(=O)O)C(=O)O |
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| InChI Key | KXUUCMNCSHTCRF-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 acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidssulfenyl compoundstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativessulfenyl compoundazacyclen-alkylpyrrolidinetertiary aliphatic aminedialkyldisulfidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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