| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:32 UTC |
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| Update Date | 2025-03-25 00:56:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216423 |
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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 | CCC(CS)C(O)C(=O)O |
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| InChI Key | LIGNWYMJTAPCSY-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 | alkylthiolsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganosulfur compoundssecondary alcoholsshort-chain hydroxy acids and derivativesthia fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharideorganosulfur compoundcarboxylic acid derivativesaccharideorganic oxidehydroxy fatty acidalcoholmethyl-branched fatty acidhydroxy acidbranched fatty acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsecondary alcoholhydrocarbon derivativealkylthiolorganooxygen compound |
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