| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:49 UTC |
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| Update Date | 2025-03-21 17:57:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005733 |
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| Frequency | 921.4 |
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| Structure | |
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| Chemical Formula | C5H10O4S |
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| Molecular Mass | 166.03 |
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| SMILES | O=C(O)CC(O)C(O)CS |
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| InChI Key | WWQKXJFJFGXAAC-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 | 1,2-diolsalkylthiolscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganosulfur compoundcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativehydroxy fatty acidalkylthiolorganooxygen compound1,2-diol |
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