| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:30 UTC |
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| Update Date | 2025-03-25 00:52:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193227 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H23NO3S |
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| Molecular Mass | 261.1399 |
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| SMILES | CCCCCC(O)=NC(CCSC)C(=O)OC |
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| InChI Key | FFRRQECVACLCBP-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 compoundscarboximidic acidsdialkylthioethersfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl grouporganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid esterdialkylthioetherorganic 1,3-dipolar compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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