| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:39 UTC |
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| Update Date | 2025-03-21 18:39:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126201 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C6H10O5S |
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| Molecular Mass | 194.0249 |
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| SMILES | O=C(O)CCC=CCS(=O)(=O)O |
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| InChI Key | ZCUONKDINWBDKR-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 acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidsstraight chain fatty acidssulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupstraight chain fatty acidcarboxylic acidorganosulfonic acidorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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