| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:10 UTC |
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| Update Date | 2025-03-21 18:37:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118023 |
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| Frequency | 22.2 |
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| Structure | |
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| Chemical Formula | C10H18N2O5S |
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| Molecular Mass | 278.0936 |
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| SMILES | CSCCC(NC(=O)CCC(=O)C(N)O)C(=O)O |
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| InChI Key | KCIGAMCYIFKZCQ-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 | methionine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanolaminesalpha amino acidsalpha-hydroxy ketonescarboxylic acidsdelta amino acids and derivativesdialkylthioethershydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidemonosaccharidefatty acidorganosulfur compoundalpha-hydroxy ketoneketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativeshydroxy fatty acidalkanolaminen-acyl-alpha amino acid or derivativessulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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