| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:19 UTC |
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| Update Date | 2025-03-21 18:40:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130210 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C26H43N6O9+ |
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| Molecular Mass | 583.3086 |
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| SMILES | NC(CCCc1c(CCC(N)C(=O)O)cc(CCC(N)C(=O)O)c[n+]1CCCCC(N)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | YGAHCRNBGUVQBV-UHFFFAOYSA-O |
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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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdipeptidesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesn-acyl aminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amidestetracarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinefatty amidealpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundhydroxypyridinetetracarboxylic acid or derivativescarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amidepyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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