| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:29 UTC |
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| Update Date | 2025-03-21 18:00:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027777 |
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| Frequency | 136.2 |
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| Structure | |
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| Chemical Formula | C16H24N6O4 |
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| Molecular Mass | 364.1859 |
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| SMILES | NC(CCCCn1cccc2nc(NCCC(N)C(=O)O)nc1-2)C(=O)O |
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| InChI Key | CPNRKEIRBPEBPL-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 derivativeshydroxypyridinesimidazolesimidazopyridinesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alkylarylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidpolyhalopyridinefatty acidimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid2-halopyridineorganoheterocyclic compoundazoleazacycleheteroaromatic compoundhydroxypyridinesecondary amineamino fatty acidsecondary aliphatic/aromatic aminepyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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