| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:13 UTC |
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| Update Date | 2025-03-25 00:55:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213448 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23N5O3 |
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| Molecular Mass | 321.1801 |
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| SMILES | CN(CCO)c1nc2cccn(CCCCC(N)C(=O)O)c-2n1 |
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| InChI Key | JOFKWSDJIANBJN-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-halopyridinesalcohols and polyolsalkanolaminesamino fatty acidsaminoimidazolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesimidazolesimidazopyridinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidpolyhalopyridinefatty acidimidazopyridinemedium-chain hydroxy acidorganic oxideaminoimidazolearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acid2-halopyridinedialkylarylamineorganoheterocyclic compoundalkanolamineazolealcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridineamino fatty acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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