| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:40 UTC |
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| Update Date | 2025-03-21 18:35:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104615 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C12H20N2O4S |
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| Molecular Mass | 288.1144 |
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| SMILES | CSCCC(NC(C)=O)C(=O)N1CCCC1C(=O)O |
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| InChI Key | ZYFRCWPUJYULPG-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 | acetamidesalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmethionine and derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssecondary carboxylic acid amidessulfenyl 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 compoundacetamiden-acyl-alpha amino acid or derivativesproline or derivativessulfenyl compoundalpha-amino acid amideazacyclen-acyl-alpha-amino aciddialkylthioethercarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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