| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:51 UTC |
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| Update Date | 2025-03-21 18:02:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040550 |
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| Frequency | 85.2 |
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| Structure | |
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| Chemical Formula | C13H16N4O4 |
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| Molecular Mass | 292.1172 |
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| SMILES | NC(CCCCn1cccc2c(=O)[nH]c(=O)nc1-2)C(=O)O |
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| InChI Key | IRYBVWIFYZYZRB-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-halopyridinesamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridineslactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrido[2,3-d]pyrimidinespyrimidones |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidpolyhalopyridinefatty acidpyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidpyridopyrimidineorganopnictogen compoundmedium-chain fatty acid2-halopyridineorganoheterocyclic compoundcarbonic acid derivativeazacycleheteroaromatic compoundhydroxypyridineamino fatty acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrido[2,3-d]pyrimidinehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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