| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:48 UTC |
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| Update Date | 2025-03-21 17:59:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023811 |
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| Frequency | 164.4 |
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| Structure | |
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| Chemical Formula | C4H6O4S |
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| Molecular Mass | 149.9987 |
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| SMILES | O=C(O)C(O)C(=O)CS |
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| InChI Key | BKKDSQRBXUXDLC-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 | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacyloinsalkylthiolsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganosulfur compoundssecondary alcoholsthia fatty acids |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharideshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxidehydroxy fatty acidalcoholhydroxy acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundalkylthiolorganooxygen compound |
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