| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:29 UTC |
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| Update Date | 2025-03-21 18:36:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109090 |
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| Frequency | 24.5 |
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| Structure | |
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| Chemical Formula | C4H6O5S |
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| Molecular Mass | 165.9936 |
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| SMILES | O=C(O)CC(=O)CS(=O)O |
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| InChI Key | NXQCMJVMKKHWGT-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 | alkanesulfinic acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundssulfinic acidsthia fatty acids |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidsulfinic acid derivativeshort-chain keto acidorganosulfur compoundcarboxylic acid derivativebeta-keto acidsulfinic acidketonealkanesulfinic acid or derivativesorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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