| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:29 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202361 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H12O3S |
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| Molecular Mass | 164.0507 |
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| SMILES | CSCOCCCC(=O)O |
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| InChI Key | NDRAHSMAGKWWFZ-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 | short-chain hydroxy acids and derivatives |
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| Direct Parent | short-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonothioacetalsorganic oxidesstraight chain fatty acidssulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidshort-chain hydroxy acidsulfenyl compoundfatty acidorganosulfur compoundcarboxylic acid derivativemonothioacetalorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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