| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:14 UTC |
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| Update Date | 2025-03-21 18:28:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074716 |
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| Frequency | 39.7 |
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| Structure | |
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| Chemical Formula | C5H8O7S |
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| Molecular Mass | 211.9991 |
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| SMILES | O=C(O)CC(O)(CS(=O)O)C(=O)O |
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| InChI Key | PXIPTBTWOIDDSJ-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 | thia fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanesulfinic acids and derivativesalpha hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganosulfur compoundsshort-chain hydroxy acids and derivativessulfinic acidstertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidsulfinic acid derivativealpha-hydroxy acidhydroxy acidorganosulfur compoundcarboxylic acid derivativebranched fatty acidsulfinic acidalkanesulfinic acid or derivativestertiary alcoholorganic oxidethia fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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