| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:36 UTC |
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| Update Date | 2025-03-25 00:49:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172951 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H26O4S |
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| Molecular Mass | 326.1552 |
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| SMILES | CCC=CCC1CSC(CCC(=O)O)=C1CCCCC(=O)O |
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| InChI Key | QLZWTQVGCLFSBJ-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 heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrothiophenesfatty acylsheterocyclic fatty acidshydrocarbon derivativesorganic oxidesthia fatty acidsthioenol ethers |
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| Substituents | carbonyl groupcarboxylic acid2,3-dihydrothiopheneheterocyclic fatty acidcarboxylic acid derivativeorganic oxidethia fatty acidthioenoletherorganic oxygen compoundaliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidorganoheterocyclic compoundorganooxygen compound |
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