| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:30 UTC |
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| Update Date | 2025-03-25 01:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252812 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N4O4 |
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| Molecular Mass | 280.1172 |
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| SMILES | NC(CCCCn1c(=O)[nH]c(=O)c2[nH]ccc21)C(=O)O |
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| InChI Key | SFYUQWMWZDVAHS-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 acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrrolespyrrolopyrimidinesvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidfatty acidpyrimidonepyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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