| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:32 UTC |
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| Update Date | 2025-03-21 18:41:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133014 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C18H27N5O4 |
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| Molecular Mass | 377.2063 |
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| SMILES | NC(CCCCn1cccc2nc(NCCCC(N)C(=O)O)cc1-2)C(=O)O |
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| InChI Key | XQCVOPJIMOOKCX-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 acidsmonoalkylaminesorganic 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 compoundhydroxypyridinesecondary amineamino fatty acidsecondary aliphatic/aromatic aminepyridineorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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