| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:31 UTC |
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| Update Date | 2025-03-21 18:29:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075357 |
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| Frequency | 39.2 |
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| Structure | |
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| Chemical Formula | C7H16N2O2S |
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| Molecular Mass | 192.0932 |
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| SMILES | CSCCC(N)C(=O)NCCO |
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| InChI Key | LMJNVHGTQVAHEY-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 | alcohols and polyolsalkanolaminesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acylethanolaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminealcoholsulfenyl compoundalpha-amino acid amidedialkylthioethercarboxamide groupn-acylethanolaminen-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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