| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:03 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176343 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N6O5 |
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| Molecular Mass | 338.1339 |
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| SMILES | CC(O)C(N)C(=O)NC(Cc1c[nH]c2[nH]c(=N)[nH]c(=O)c12)C(=O)O |
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| InChI Key | HFUZHPMJEJSLPA-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinessecondary alcoholssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidfatty amidepyrimidonealpha-amino acid or derivativespyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholvinylogous amidealpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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