| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:08 UTC |
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| Update Date | 2025-03-21 18:33:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098400 |
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| Frequency | 28.0 |
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| Structure | |
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| Chemical Formula | C15H21N5O4 |
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| Molecular Mass | 335.1594 |
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| SMILES | CC(Cn1cccc2nc(NCCCC(N)C(=O)O)nc1-2)C(=O)O |
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| InChI Key | RXGOECRVISRIAO-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 acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmethylpyridinesmonoalkylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidpolyhalopyridineimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridinesecondary aminesecondary aliphatic/aromatic aminepyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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