| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:00 UTC |
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| Update Date | 2025-03-21 18:04:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050531 |
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| Frequency | 64.9 |
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| Structure | |
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| Chemical Formula | C5H8O8S |
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| Molecular Mass | 227.994 |
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| SMILES | O=C(O)CCC(=O)OCOS(=O)(=O)O |
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| InChI Key | NMSTZYQUSJGQRO-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 acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesshort-chain hydroxy acids and derivativessulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesshort-chain hydroxy acidcarboxylic acid derivativefatty acid esterorganic oxideorganic oxygen compoundsulfated fatty acidcarboxylic acid esteralkyl sulfatedicarboxylic acid or derivativessulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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