| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:24 UTC |
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| Update Date | 2025-03-21 18:31:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087007 |
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| Frequency | 32.7 |
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| Structure | |
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| Chemical Formula | C7H12O8S |
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| Molecular Mass | 256.0253 |
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| SMILES | O=C(O)CCC(CCC(=O)O)OS(=O)(=O)O |
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| InChI Key | QPBVAOHUIXUCRU-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 sulfatescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganic oxygen compoundsulfated fatty acidalkyl sulfatedicarboxylic acid or derivativessulfate-esterhydrocarbon derivativemedium-chain fatty acidsulfuric acid esterorganooxygen compound |
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