| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:27 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181845 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO4S |
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| Molecular Mass | 229.0409 |
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| SMILES | O=C(O)C(=O)CCC1SCC2NC(=O)C21 |
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| InChI Key | WQTNNWSKIGYDGZ-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundsazetidinesbeta lactamscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain keto acids and derivativesthiolanes |
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| Substituents | thiolanecarbonyl grouplactamcarboxylic acidheterocyclic fatty acidshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativeketonealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioethercarboxamide groupazetidinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherketo acidhydrocarbon derivativeorganic nitrogen compoundbeta-lactamorganooxygen compound |
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