| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:54 UTC |
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| Update Date | 2025-03-21 18:03:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043092 |
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| Frequency | 79.1 |
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| Structure | |
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| Chemical Formula | C25H39NO7S |
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| Molecular Mass | 497.2447 |
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| SMILES | CCCCCC=CCC=CC=CC=CC(SCC(O)C(=O)NCC(=O)O)C(O)CCCC(=O)O |
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| InChI Key | COOZMCRPNIEKLR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidslong-chain fatty acidsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidmonosaccharideorganosulfur compoundsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioethercarboxamide groupn-acylglycinesecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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