| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:23 UTC |
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| Update Date | 2025-03-25 01:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252551 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H52N7O9+ |
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| Molecular Mass | 654.3821 |
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| SMILES | NC(CCCCNC(=O)C(N)CCc1cc(CCC(N)C(=O)O)c(CCCC(N)C(=O)O)[n+](CCCCC(N)C(=O)O)c1)C(=O)O |
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| InChI Key | SBRWFHHTPPVFQN-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesn-acyl aminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinefatty amidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundhydroxypyridinetetracarboxylic acid or derivativescarboxamide groupn-acyl-aminesecondary carboxylic acid amidepyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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