| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:20 UTC |
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| Update Date | 2025-03-21 18:39:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127832 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C31H49N3O9S |
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| Molecular Mass | 639.319 |
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| SMILES | CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)CCCCC(=O)O |
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| InChI Key | JYXATDGWHCDRGP-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 | oligopeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl glycinesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminen-acylglycinen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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