| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:02 UTC |
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| Update Date | 2025-03-25 00:50:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180878 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H10O8S |
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| Molecular Mass | 242.0096 |
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| SMILES | O=C(O)CCC(=O)C(CO)OS(=O)(=O)O |
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| InChI Key | HFMPYQAJAVWIIP-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 | sulfated fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatesbeta-hydroxy ketonescarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcoholssulfuric acid monoesters |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidcarboxylic acid derivativeketoneorganic oxidealkyl sulfatehydroxy fatty acidprimary alcoholalcoholorganic sulfuric acid or derivativesgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidketo acidsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compoundmedium-chain keto acid |
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