| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:11 UTC |
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| Update Date | 2025-03-21 17:59:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020178 |
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| Frequency | 218.0 |
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| Structure | |
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| Chemical Formula | C12H19N3O6S |
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| Molecular Mass | 333.0995 |
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| SMILES | O=C(O)CNC(=O)CCCCC1C2NC(=O)NC2CS1(=O)=O |
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| InChI Key | ZPJFBEARELVLFZ-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbiotin and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesn-acyl aminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfonesthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidfatty amidethiophenealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacyclethienoimidazolidinecarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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