| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:15 UTC |
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| Update Date | 2025-03-21 18:40:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130043 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C9H18N2O5S |
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| Molecular Mass | 266.0936 |
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| SMILES | CC(C)CC(NC(=O)C(N)CS(=O)O)C(=O)O |
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| InChI Key | HCUITALKHDIZPU-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanesulfinic acids and derivativesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesleucine and derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidessulfinic acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfinic acid derivativefatty acidalpha-amino acid or derivativesorganosulfur compoundsulfinic acidalkanesulfinic acid or derivativesorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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