| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:38 UTC |
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| Update Date | 2025-03-25 00:51:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189085 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21NO3S |
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| Molecular Mass | 259.1242 |
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| SMILES | CC(C)CC(NC(=O)C1CCCSC1)C(=O)O |
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| InChI Key | IJDUFFGMAQLVSE-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthianes |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidorganic oxideleucine or derivativesaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundthianen-acyl-alpha amino acid or derivativesmethyl-branched fatty acidn-acyl-alpha-amino aciddialkylthioethercarboxamide groupbranched fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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