| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:38 UTC |
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| Update Date | 2025-03-25 00:54:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207242 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18N6O7 |
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| Molecular Mass | 406.1237 |
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| SMILES | Nc1nc(N)c(CC(N=CC=C2C=C(C(=O)O)NC(C(=O)O)C2)C(=O)O)c(=O)[nH]1 |
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| InChI Key | JIFWNEJKKJSQEY-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 | aldiminesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonestetrahydropyridinestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidiminepyrimidonetricarboxylic acid or derivativespyrimidinepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundvinylogous amidesecondary aliphatic amineazacycleheteroaromatic compoundtetrahydropyridineorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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