| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:46 UTC |
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| Update Date | 2025-03-25 00:55:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209954 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17NO7S |
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| Molecular Mass | 295.0726 |
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| SMILES | CC(O)CCCC=CC(O)=NCC(=O)OS(=O)(=O)O |
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| InChI Key | RBYCPEXGCYSGRU-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 compoundscarboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholaliphatic acyclic compoundcarboximidic acidsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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