| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:40 UTC |
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| Update Date | 2025-03-21 18:29:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078208 |
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| Frequency | 37.4 |
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| Structure | |
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| Chemical Formula | C7H12O9S |
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| Molecular Mass | 272.0202 |
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| SMILES | O=C(O)CC(O)CCC(=O)OCOS(=O)(=O)O |
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| InChI Key | AVSWCBNQAQEBNK-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 acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxidealkyl sulfatemedium-chain fatty acidhydroxy fatty acidalcoholorganic sulfuric acid or derivativeshydroxy acidfatty acid esterorganic oxygen compoundsulfated fatty acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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