| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:29 UTC |
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| Update Date | 2025-03-25 00:53:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197731 |
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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 | CCC(C)C(N)C(=O)NCCS(C)=O |
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| InChI Key | OQFLCFAZRGCEMY-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfinyl compoundssulfoxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupalpha-amino acid amidefatty amideorganosulfur compoundcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxidealpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundisoleucine or derivativesorganooxygen compound |
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