| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:16 UTC |
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| Update Date | 2025-03-21 18:00:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024916 |
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| Frequency | 155.6 |
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| Structure | |
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| Chemical Formula | C5H8O4S |
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| Molecular Mass | 164.0143 |
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| SMILES | COC(=O)CSCC(=O)O |
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| InChI Key | YNPVYNMNQMSFNP-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 | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | thiodiacetic acid derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmethyl estersorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundthiodiacetic_acidcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxidemethyl esterorganic oxygen compoundthioethercarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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