| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:27 UTC |
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| Update Date | 2025-03-21 18:28:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070438 |
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| Frequency | 42.7 |
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| Structure | |
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| Chemical Formula | C10H16N2O4S |
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| Molecular Mass | 260.0831 |
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| SMILES | O=C1NC2CSC(CCCC(O)C(=O)O)C2N1 |
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| InChI Key | LGYDGTPEVDEQPK-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 hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimidazolidinonesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidthiophenecarboxylic acid derivativemedium-chain hydroxy acidaliphatic heteropolycyclic compoundimidazolidinonesaccharideorganic oxidebiotin_derivativeorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholcarbonic acid derivativeazacycledialkylthioetherbiotinhydroxy acidthienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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