| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:48 UTC |
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| Update Date | 2025-03-25 00:51:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189456 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H18N2O5S |
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| Molecular Mass | 278.0936 |
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| SMILES | CC(CCC(N)C(=O)O)C(=O)NC(CS)C(=O)O |
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| InChI Key | DSKMQWNISKIWOC-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsbranched fatty acidscarbonyl compoundscarboxylic acidscysteine and derivativesdelta amino acids and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesmedium-chain fatty acidn-acyl-alpha-amino acidcarboxamide groupbranched fatty acidn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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