| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:18 UTC |
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| Update Date | 2025-03-25 00:53:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201945 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H20N2O3S |
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| Molecular Mass | 236.1195 |
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| SMILES | CSCCC(N)C(O)C(=O)NCCCO |
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| InChI Key | DCZSRCWYTXOATN-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amidemonosaccharideorganosulfur compoundsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsulfenyl compounddialkylthioethercarboxamide groupn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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