| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:06 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181061 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H6O3S |
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| Molecular Mass | 134.0038 |
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| SMILES | O=C(O)CC(O)C=S |
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| InChI Key | JSQZCJXXRMPDDY-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativesthioaldehydes |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidthiocarbonyl groupfatty acidorganosulfur compoundcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesthioaldehydeorganic oxygen compoundsecondary alcoholhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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