| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:26 UTC |
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| Update Date | 2025-03-21 18:37:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113805 |
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| Frequency | 23.2 |
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| Structure | |
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| Chemical Formula | C15H23N3O4S |
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| Molecular Mass | 341.1409 |
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| SMILES | O=C1NC2CSC(CCCCC(=O)N3CCCC3C(=O)O)C2N1 |
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| InChI Key | BUMQEZTZKUQOEA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | biotin and derivatives |
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| Subclass | biotin and derivatives |
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| Direct Parent | biotin and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidstertiary carboxylic acid amidesthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinecarbonyl groupcarboxylic acidn-acylpyrrolidinealpha-amino acid or derivativesthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinen-acyl-alpha amino acid or derivativesproline or derivativescarbonic acid derivativeazacyclen-acyl-alpha-amino aciddialkylthioetherthienoimidazolidinecarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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