| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:13 UTC |
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| Update Date | 2025-03-25 01:01:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249873 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H12O4S |
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| Molecular Mass | 180.0456 |
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| SMILES | CSCC(O)CC(O)C(=O)O |
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| InChI Key | YOKPVRQPCMHYFX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compounds |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidsulfenyl compounddialkylthioetheralpha-hydroxy acidhydroxy acidorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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