Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:59 UTC |
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Update Date | 2025-03-21 18:35:23 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105413 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C6H13NO3S |
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Molecular Mass | 179.0616 |
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SMILES | COC(=O)C(N)CCS(C)=O |
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InChI Key | KWEJHUFCEXDKPM-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 | alpha amino acid esters |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | alpha amino acidscarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compoundssulfoxides |
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Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupalpha-amino acid esterorganosulfur compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundsulfinyl compoundcarboxylic acid esterorganonitrogen compoundsulfoxidealpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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