| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:05 UTC |
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| Update Date | 2025-03-25 00:57:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226818 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N6O3 |
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| Molecular Mass | 334.1753 |
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| SMILES | CC(C)CC(NC(=O)C(N)Cc1c[nH]c2ncnc(N)c12)C(=O)O |
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| InChI Key | IDPLFDHGULLKPS-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 acid amidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidolactamsleucine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativespyrrolespyrrolo[2,3-d]pyrimidinessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidfatty amidealpha-amino acid or derivativespyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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