| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:44 UTC |
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| Update Date | 2025-03-25 00:53:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202907 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N2O6S |
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| Molecular Mass | 334.1199 |
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| SMILES | O=C1NC2CS(=O)(=O)C(CCCCCCC(O)C(=O)O)C2N1 |
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| InChI Key | HRZASCBVBVHIRK-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimidazolidinonesmedium-chain fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfonesthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidthiophenecarboxylic acid derivativemedium-chain hydroxy acidaliphatic heteropolycyclic compoundimidazolidinonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholcarbonic acid derivativeazacyclethienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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