| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:29 UTC |
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| Update Date | 2025-03-25 00:57:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225469 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H27N4O5+ |
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| Molecular Mass | 367.1976 |
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| SMILES | CC(=O)c1c(N)c[n+](CCCCC(N)C(=O)O)cc1CCC(N)C(=O)O |
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| InChI Key | WKOAVIHRZVCDMD-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmedium-chain fatty acidsmethylpyridinesmonoalkylaminesorganic cationsorganic oxidesorganopnictogen compoundspolyhalopyridinesvinylogous amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acidheterocyclic fatty acidpolyhalopyridinefatty acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinemethylpyridineamino fatty acidpyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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