| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:01 UTC |
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| Update Date | 2025-03-25 00:49:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173909 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H45NO5S |
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| Molecular Mass | 495.3018 |
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| SMILES | CCCCCC=CCC=CC=CC=CC(SCC(NC(C)=O)C(O)CC)C(O)CCCC(=O)O |
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| InChI Key | LLPSGSIHQMLMMJ-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 | long-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidacetamidealcoholsulfenyl compounddialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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