| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:58 UTC |
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| Update Date | 2025-03-21 18:36:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110264 |
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| Frequency | 24.2 |
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| Structure | |
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| Chemical Formula | C10H17N3O2S |
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| Molecular Mass | 243.1041 |
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| SMILES | N=C1NC2CSC(CCCCC(=O)O)C2N1 |
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| InChI Key | WWVANQJRLPIHNS-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 | azacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersguanidinesheterocyclic fatty acidshydrocarbon derivativesimidazolidinesiminesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidguanidineiminefatty acidthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxidebiotin_derivativeorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidazacycledialkylthioethercarboximidamidethienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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