| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:16 UTC |
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| Update Date | 2025-03-25 00:49:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172181 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H25N7O6 |
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| Molecular Mass | 471.1866 |
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| SMILES | CN1c2c(nc(N)[nH]c2=O)NCC2CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)C21 |
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| InChI Key | FDNXEFSVXWYVRP-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-diazepinesalpha amino acidsamino acidsaniline and substituted anilinesazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativesheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativesimidolactamslactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylazetidinesprimary aminespyrimidodiazepinespyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidamino acidbenzoylpyrimidonebenzamidepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrimidodiazepinedialkylarylamineimidolactamorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidhippuric acid or derivativesaniline or substituted anilinesheteroaromatic compoundbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic amineazetidinesecondary carboxylic acid amidepara-diazepineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compound1-phenylazetidineamineorganooxygen compound |
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