| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:36 UTC |
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| Update Date | 2025-03-21 18:36:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111820 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C16H24N6O3 |
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| Molecular Mass | 348.191 |
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| SMILES | NC(=O)CCCCn1cccc2nc(NCCCC(N)C(=O)O)nc1-2 |
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| InChI Key | CZZNNYKTHODNMY-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidessecondary alkylarylamines |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidamino acidpolyhalopyridinefatty amideimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazoleazacycleheteroaromatic compoundhydroxypyridinesecondary aminecarboxamide groupsecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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