| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:19 UTC |
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| Update Date | 2025-03-25 00:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236297 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18N2O5S |
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| Molecular Mass | 290.0936 |
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| SMILES | CSCCC(N)C(=O)N1C(C(=O)O)CCC1C(=O)O |
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| InChI Key | MZHYNCUTZDJHLG-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 acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmethionine and 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 aciddialkylthioethercarboxamide groupalpha-dipeptidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioethermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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