| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:03 UTC |
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| Update Date | 2025-03-25 00:51:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185444 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N6O5 |
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| Molecular Mass | 336.1182 |
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| SMILES | Nc1ncnc2[nH]cc(CC(N)C(=O)NC(CC(=O)O)C(=O)O)c12 |
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| InChI Key | IQWVXRPTYFPEEH-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 acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesn-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 compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundpyrroleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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