| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:20 UTC |
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| Update Date | 2025-03-21 18:37:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113575 |
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| Frequency | 23.3 |
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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 | CC(CS(C)=O)C(N)C(=O)O |
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| InChI Key | ABTKQRJFQQVILF-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 acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compoundssulfoxidesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidfatty acidorganosulfur compoundbranched fatty acidorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxidealpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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