| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:59 UTC |
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| Update Date | 2025-03-25 00:51:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189886 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O2S3 |
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| Molecular Mass | 223.9999 |
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| SMILES | C=CCSSSCCCC(=O)O |
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| InChI Key | JBJXYJYQBLMUEF-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 acyclic compounds |
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| Alternative Parents | allyl sulfur compoundscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic trisulfidesstraight chain fatty acidssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidsulfenyl compoundorganic trisulfideallyl sulfur compoundorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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