| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:00 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155832 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18N2O3S |
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| Molecular Mass | 234.1038 |
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| SMILES | CSCNC(=O)CCCCC(N)C(=O)O |
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| InChI Key | IJPRCDDNGDVBBX-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn,s-acetalsn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidorganosulfur compoundn,s-acetalorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundmedium-chain fatty acidsulfenyl compounddialkylthioethercarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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