| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:12 UTC |
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| Update Date | 2025-03-25 00:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238272 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O6 |
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| Molecular Mass | 296.1008 |
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| SMILES | O=C(O)CCC(NC(Cc1ccccn1)C(=O)O)C(=O)O |
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| InChI Key | BUGBTLXRNQDXLZ-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundhydroxypyridineglutamic acid or derivativessecondary aminepyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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