| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:12 UTC |
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| Update Date | 2025-03-25 00:47:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160642 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10N6O4 |
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| Molecular Mass | 242.0764 |
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| SMILES | Nc1nnc(NC(CC(=O)O)C(=O)O)c(N)n1 |
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| InChI Key | CEKXLZLTXNXIJM-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2,4-triazinesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsprimary aminessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativestriazinehydrocarbon derivativeprimary amineorganic nitrogen compound1,2,4-triazineamineorganooxygen compound |
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