| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:15 UTC |
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| Update Date | 2025-03-21 18:33:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096231 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C13H17N5O3 |
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| Molecular Mass | 291.1331 |
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| SMILES | Nc1nc2n(CCCCC(N)C(=O)O)cccc-2c(=O)n1 |
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| InChI Key | AIPCQUJRKPVRIQ-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 acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinespyrido[2,3-d]pyrimidinespyrimidones |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidpolyhalopyridinefatty acidpyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidpyridopyrimidineorganopnictogen compoundmedium-chain fatty acid2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridineamino fatty acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrido[2,3-d]pyrimidinehydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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