| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:17 UTC |
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| Update Date | 2025-03-25 00:59:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236219 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H20N2O2S |
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| Molecular Mass | 220.1245 |
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| SMILES | CSCCC(NC(=O)CCN)C(C)O |
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| InChI Key | WTBRJAJZKAVTFR-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 derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupsulfenyl compounddialkylthioetherorganosulfur compoundcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxideorganic oxygen compoundthioetherorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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