| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:57 UTC |
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| Update Date | 2025-03-25 00:49:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171486 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N4O4 |
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| Molecular Mass | 254.1015 |
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| SMILES | CN(C)c1nccc(NC(CC(=O)O)C(=O)O)n1 |
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| InChI Key | IXVQUFATOFHINU-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 | alpha amino acidsamino acidsaminopyrimidines and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylamineimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineaminopyrimidineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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