| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:00 UTC |
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| Update Date | 2025-03-21 18:33:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095612 |
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| Frequency | 29.0 |
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| Structure | |
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| Chemical Formula | C9H11NO8 |
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| Molecular Mass | 261.0485 |
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| SMILES | O=C(O)CCC(=NC(CC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | GZQGPCDUSKJLOJ-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 | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminestetracarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundketiminecarbonyl groupcarboxylic acidiminetetracarboxylic acid or derivativesorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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