| 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 | DMID02173913 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H51NO6S |
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| Molecular Mass | 565.3437 |
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| SMILES | CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CCCC(=O)O)C(=O)O)C(O)CCCCCCC |
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| InChI Key | QEXWPVHPXFVWNR-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminesecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethercysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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