| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:02 UTC |
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| Update Date | 2025-03-21 18:33:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098177 |
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| Frequency | 28.0 |
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| Structure | |
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| Chemical Formula | C4H8O5S |
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| Molecular Mass | 168.0092 |
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| SMILES | O=C(O)CC(O)CS(=O)O |
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| InChI Key | IRLCKZBUUHJUQF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanesulfinic acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfinic acidsthia fatty acids |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidsulfinic acid derivativefatty acidorganosulfur compoundcarboxylic acid derivativesulfinic acidalkanesulfinic acid or derivativesbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsecondary alcoholhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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