| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:14 UTC |
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| Update Date | 2025-03-25 00:52:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194856 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24N4O7 |
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| Molecular Mass | 408.1645 |
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| SMILES | CCOC(=O)N1CCN(c2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cn2)CC1 |
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| InChI Key | BWMUYVSKHFWCRK-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsaminopyridines and derivativesazacyclic compoundscarbamate esterscarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesn-acyl-alpha amino acidsn-arylpiperazinesnicotinamidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperazine carboxylic acidspolyhalopyridinespyridinecarboxylic acids and derivativespyridinylpiperazinessecondary carboxylic acid amides |
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| Substituents | piperazine-1-carboxylic acidpyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinenicotinamideorganic oxidepiperazinepyridinylpiperazineorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridinedialkylarylamineimidolactamaminopyridineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativescarbonic acid derivativeazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinecarbamic acid estermethylpyridineglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compound1,4-diazinanedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundn-arylpiperazineorganooxygen compound |
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