| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:26 UTC |
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| Update Date | 2025-03-21 18:03:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044399 |
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| Frequency | 76.2 |
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| Structure | |
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| Chemical Formula | C27H42N2O7S |
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| Molecular Mass | 538.2713 |
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| SMILES | CCCCCC=CCC=CC=CC=CC(SCC(NC(C)=O)C(=O)NCC(=O)O)C(O)CCCC(=O)O |
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| InChI Key | HJNOQTNZXQEPJB-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 | acetamidesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesdipeptidesfatty acylshydrocarbon derivativeshydroxy fatty acidslong-chain fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidacetamidealcoholsulfenyl compoundalpha-amino acid amidedialkylthioethercarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethercysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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