| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:50 UTC |
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| Update Date | 2025-03-25 00:55:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210135 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H15NO3S |
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| Molecular Mass | 193.0773 |
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| SMILES | CC(O)CC(SCCN)C(=O)O |
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| InChI Key | XQSIHNKRXPYVOT-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 | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholmethyl-branched fatty acidsulfenyl compounddialkylthioetherbranched fatty acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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