| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:54 UTC |
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| Update Date | 2025-03-25 00:46:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157786 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19NO6S |
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| Molecular Mass | 293.0933 |
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| SMILES | O=C(O)CCCCC1N2CC(O)C(O)C2CS1(=O)=O |
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| InChI Key | WBUBVACFHQELKD-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 | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolothiazolessecondary alcoholssulfonesthiazolidines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidpyrrolidineorganoheterocyclic compound1,2-diolalcoholazacyclen-alkylpyrrolidinepyrrolothiazolemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfonethiazolidine |
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