| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:59 UTC |
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| Update Date | 2025-03-21 18:40:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129387 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C10H19NO6S |
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| Molecular Mass | 281.0933 |
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| SMILES | O=C(O)CCCCCCC(=O)NCCS(=O)(=O)O |
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| InChI Key | ITJBRPMTYVCNOW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidesstraight chain fatty acidssulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidfatty amideorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidstraight chain fatty acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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