| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:07 UTC |
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| Update Date | 2025-03-25 00:45:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149064 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H38N2O9S |
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| Molecular Mass | 554.2298 |
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| SMILES | CCCCCC=CCC=CC=CC=CC(SCC(NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)NCC(=O)O |
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| InChI Key | BBQZHCAQQDWYSO-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 acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkylthioethersglutamic acid and derivativeshydrocarbon derivativesn-acyl aminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstetracarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compounddialkylthioethertetracarboxylic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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