| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:51 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157655 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O4S3 |
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| Molecular Mass | 279.9898 |
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| SMILES | O=C(O)CCC1SCC2SSC(C(=O)O)C12 |
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| InChI Key | QLYYILKCQCERML-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2-dithiolanescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic disulfidesorganic oxidesthiolanes |
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| Substituents | thiolanecarbonyl groupcarboxylic aciddialkylthioethercarboxylic acid derivative1,2-dithiolanealiphatic heteropolycyclic compoundorganic oxidethia fatty acidorganic oxygen compounddithiolanethioetherorganic disulfidedicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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