| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:39 UTC |
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| Update Date | 2025-03-21 18:06:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063671 |
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| Frequency | 48.4 |
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| Structure | |
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| Chemical Formula | C10H19NO4S |
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| Molecular Mass | 249.1035 |
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| SMILES | CSCCC(NC(=O)OC(C)(C)C)C(=O)O |
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| InChI Key | IMUSLIHRIYOHEV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | methionine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsbranched fatty acidscarbamate esterscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonic acid derivativesulfenyl compounddialkylthioethercarbamic acid esterbranched fatty acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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