| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:25 UTC |
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| Update Date | 2025-03-21 18:34:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099084 |
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| Frequency | 27.7 |
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| Structure | |
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| Chemical Formula | C17H23N5O5 |
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| Molecular Mass | 377.1699 |
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| SMILES | NC(CCCCn1cccc2nc(NCCCC(=O)C(=O)O)nc1-2)C(=O)O |
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| InChI Key | KZPDHHDWWFZDTC-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-halopyridinesalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsamino fatty acidsazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmedium-chain keto acids and derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alkylarylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidpolyhalopyridineimidazopyridinealpha-hydroxy ketoneketoneorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazoleazacycleheteroaromatic compoundhydroxypyridinesecondary amineamino fatty acidsecondary aliphatic/aromatic aminepyridineorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaminemedium-chain keto acid |
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