| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:34 UTC |
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| Update Date | 2025-03-21 18:00:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025635 |
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| Frequency | 150.3 |
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| Structure | |
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| Chemical Formula | C7H13NO4S |
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| Molecular Mass | 207.0565 |
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| SMILES | NCCSCC(CC(=O)O)C(=O)O |
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| InChI Key | AJEQZQIMVRERRK-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 | branched fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativebranched fatty acidorganic oxidethia fatty acidorganic oxygen compoundthioetherorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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