| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:22 UTC |
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| Update Date | 2025-03-21 17:59:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020585 |
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| Frequency | 196.3 |
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| Structure | |
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| Chemical Formula | C12H21N3O3S |
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| Molecular Mass | 287.1304 |
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| SMILES | NC(CCCCCC1SCC2NC(=O)NC21)C(=O)O |
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| InChI Key | SHFNAKUDFIZGJL-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidthiophenealiphatic heteropolycyclic compoundimidazolidinoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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