| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:49 UTC |
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| Update Date | 2025-03-21 18:03:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042873 |
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| Frequency | 79.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O7 |
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| Molecular Mass | 284.0645 |
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| SMILES | O=C(O)C1=CC(=CC=NC(O)C(=O)O)CC(C(=O)O)N1 |
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| InChI Key | MIRWRIATRFMLNO-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalkanolaminesalpha hydroxy acids and derivativesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidiminealpha-hydroxy acidtricarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalkanolaminesecondary aliphatic amineazacycletetrahydropyridineorganic 1,3-dipolar compoundhydroxy acidsecondary amineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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