| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:35:31 UTC |
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| Update Date | 2025-03-21 18:46:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00146829 |
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| Frequency | 26.7 |
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| Structure | |
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| Chemical Formula | C9H18N2O3S |
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| Molecular Mass | 234.1038 |
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| SMILES | COC(=O)C(C)N=C(O)C(N)CCSC |
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| InChI Key | PFHLMDQIOUBLNA-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 | alanine and derivativesalpha amino acidscarbonyl compoundscarboximidic acidsdialkylthioethershydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl grouporganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid esterdialkylthioetherorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid esteralanine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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