| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:14 UTC |
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| Update Date | 2025-03-25 00:45:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151680 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N4O3 |
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| Molecular Mass | 268.1535 |
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| SMILES | Cn1c(=N)ccn(CCCCCC(N)C(=O)O)c1=O |
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| InChI Key | RYXJUWNAMYEYLL-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 heteromonocyclic compounds |
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| Alternative Parents | amino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidolactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonesureas |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidpyrimidonepyrimidineureaorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidimidolactamorganoheterocyclic compoundcarbonic acid derivativeazacycleheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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