| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:31 UTC |
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| Update Date | 2025-03-25 00:45:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152323 |
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| Frequency | 0.5 |
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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(CCCCn1cncc2c(C(=O)O)cnc1-2)C(=O)O |
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| InChI Key | ZOKPFESGOFZCDV-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 | 1-carboxy-2-haloaromatic compoundsamino fatty acidsazacyclic compoundscarbonyl compoundsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidinecarboxylic acidspyrimidines and pyrimidine derivativespyrrole carboxylic acidspyrrolo[2,3-d]pyrimidines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acidfatty acidpyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundazacycleheteroaromatic compoundpyrimidine-5-carboxylic acidamino fatty acidorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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