| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:53 UTC |
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| Update Date | 2025-03-25 00:46:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153202 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24N6O5 |
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| Molecular Mass | 392.1808 |
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| SMILES | NC(=O)CCC(Nc1nc2cccn(CCCCC(N)C(=O)O)c-2n1)C(=O)O |
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| InChI Key | WDPLBVBSZGAUSC-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 | glutamine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsamino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amidesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidessecondary alkylarylamines |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidglutamine or derivativesamino acidheterocyclic fatty acidpolyhalopyridinefatty amidefatty acidimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid2-halopyridineorganoheterocyclic compoundazoleazacycleheteroaromatic compoundhydroxypyridinesecondary aminecarboxamide groupamino fatty acidsecondary aliphatic/aromatic aminepyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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