| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:29 UTC |
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| Update Date | 2025-03-25 00:50:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179621 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H26O3S |
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| Molecular Mass | 262.1603 |
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| SMILES | CS(=O)CCCCCCCCCCCC(=O)O |
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| InChI Key | QQJUDCWUFSINNC-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 derivativesorganic oxidesstraight chain fatty acidssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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