| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:26 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163424 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8O3S2 |
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| Molecular Mass | 191.9915 |
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| SMILES | O=C(O)C(=O)CC1SCCS1 |
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| InChI Key | BOQZLDFXNRUJLE-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 | thia fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dithiolanesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersdithioacetalsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic aciddialkylthioetheralpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compounddithiolanethioetherketo acidaliphatic heteromonocyclic compoundalpha-keto acidhydrocarbon derivativethioacetal1,3-dithiolaneorganoheterocyclic compoundorganooxygen compound |
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