| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:53 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 | DMID02157746 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO3S |
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| Molecular Mass | 255.0929 |
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| SMILES | O=C(O)CCCCC1=C2CCC(=O)NC2CS1 |
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| InChI Key | YNXKAGCBUVPLRN-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 acidsdelta lactamsdihydrothiophenesfatty acylsheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinonessecondary carboxylic acid amidesthioenol ethers |
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| Substituents | carbonyl grouplactamcarboxylic acidheterocyclic fatty acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinonemedium-chain fatty acidpiperidineorganoheterocyclic compoundazacycle2,3-dihydrothiophenecarboxamide groupdelta-lactamsecondary carboxylic acid amidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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