| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:59 UTC |
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| Update Date | 2025-03-21 18:32:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093189 |
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| Frequency | 30.0 |
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| Structure | |
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| Chemical Formula | C11H19NO3S |
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| Molecular Mass | 245.1086 |
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| SMILES | O=C(O)CNC(=O)CCCCC1CCCS1 |
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| InChI Key | LQIHTYUOBJDMOF-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 | acyl glycines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiolanes |
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| Substituents | thiolanefatty acylcarbonyl groupcarboxylic acidfatty amideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compounddialkylthioethercarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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