| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:55 UTC |
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| Update Date | 2025-03-25 00:51:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185132 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H32N5O9+ |
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| Molecular Mass | 498.2195 |
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| SMILES | NC(=O)CCC(NC(=O)Cc1c[n+](CCCCC(N)C(=O)O)cc(O)c1CC(N)C(=O)O)C(=O)O |
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| InChI Key | ALCYHKSMIYXPHS-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 | glutamine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidglutamine or derivativesaromatic heteromonocyclic compoundpolyhalopyridinefatty amidetricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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