| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:52 UTC |
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| Update Date | 2025-03-25 00:50:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178236 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13NO5S |
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| Molecular Mass | 223.0514 |
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| SMILES | COC(=O)C(N)CSCC(O)C(=O)O |
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| InChI Key | CWELVCYZBWZAAD-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 acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharideorganosulfur compoundsaccharideorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsulfenyl compoundalpha-amino acid esterdialkylthioetherhydroxy acidorganic oxygen compoundthioethercysteine or derivativescarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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