| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:46 UTC |
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| Update Date | 2025-03-21 18:38:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121822 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C19H29N5O4 |
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| Molecular Mass | 391.222 |
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| SMILES | Cc1c(NCCCC(N)C(=O)O)nc2cccn(CCCCC(N)C(=O)O)c1-2 |
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| InChI Key | QHLZZPDKUXQPFX-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesimidolactamsmedium-chain fatty acidsmethylpyridinesmonoalkylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinespyrrolessecondary alkylarylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidpolyhalopyridinefatty acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid2-halopyridineimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinesecondary amineamino fatty acidsecondary aliphatic/aromatic aminepyridineorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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