| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:56 UTC |
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| Update Date | 2025-03-25 00:46:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157846 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O3S |
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| Molecular Mass | 228.0569 |
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| SMILES | O=C(O)CCCC1SCC2NC(=O)N=C21 |
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| InChI Key | SYQIIIPSYRDGAH-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 | heterocyclic fatty acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesimidazolinesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiolanes |
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| Substituents | thiolanecarbonyl groupcarboxylic acidheterocyclic fatty acidcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacycledialkylthioetherorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherimidazoline3-imidazolinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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