| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:52 UTC |
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| Update Date | 2025-03-21 18:30:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083457 |
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| Frequency | 34.5 |
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| Structure | |
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| Chemical Formula | C5H8O5S |
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| Molecular Mass | 180.0092 |
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| SMILES | O=C(O)C(O)C(O)C(=O)CS |
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| InChI Key | ZZJDBTMSKFWGAB-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 | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsacyloinsalkylthiolsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganosulfur compoundssecondary alcoholsshort-chain keto acids and derivatives |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharideshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidehydroxy fatty acid1,2-diolalcoholhydroxy acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativealkylthiolorganooxygen compound |
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