| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:34 UTC |
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| Update Date | 2025-03-21 18:41:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135316 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C11H16N2O4S |
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| Molecular Mass | 272.0831 |
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| SMILES | O=C(O)CCCCC1SCC2NC(=O)NC(=O)C21 |
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| InChI Key | DPQMYFDYPQUIPH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdiazinanesdicarboximidesheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl ureasorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonesthiolanes |
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| Substituents | thiolanecarbonyl groupcarboxylic acidheterocyclic fatty acidpyrimidonecarboxylic acid derivativepyrimidinealiphatic heteropolycyclic compound1,3-diazinaneorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty aciddicarboximideureideorganoheterocyclic compoundn-acyl ureacarbonic acid derivativeazacycledialkylthioethermonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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