| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:18 UTC |
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| Update Date | 2025-03-25 00:47:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160856 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N6O5 |
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| Molecular Mass | 350.1339 |
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| SMILES | Nc1ncnc2c(CC(NC(=O)CCC(N)C(=O)O)C(=O)O)c[nH]c12 |
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| InChI Key | FNTLYYSQWSDVAK-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 | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativespyrrolespyrrolopyrimidinessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglutamine or derivativesamino acid or derivativesamino acidfatty amidealpha-amino acid or derivativespyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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