| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:23 UTC |
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| Update Date | 2025-03-25 01:00:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245690 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H19NO4S |
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| Molecular Mass | 237.1035 |
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| SMILES | CCCS(=O)(=O)NC(CC(C)C)C(=O)O |
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| InChI Key | YLMFVKALSCMEKL-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 acyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | fatty acylaliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganosulfonic acid amideorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethyl-branched fatty acidaminosulfonyl compoundbranched fatty acidmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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