| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:28 UTC |
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| Update Date | 2025-03-25 00:50:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184086 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N5O6 |
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| Molecular Mass | 337.1022 |
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| SMILES | NC(CCCCn1nc(C(=O)O)cc2c(=O)[nH]c(=O)nc1-2)C(=O)O |
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| InChI Key | JPYIGDGACWLUEW-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 | amino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonoalkylaminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridazines and derivativespyrimidones |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidfatty acidpyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundcarbonic acid derivativeazacycleheteroaromatic compoundamino fatty acidorganic oxygen compoundpyridazinedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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