| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:40 UTC |
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| Update Date | 2025-03-21 18:36:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111951 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C8H11NO8 |
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| Molecular Mass | 249.0485 |
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| SMILES | NC(CC(=O)OC(CC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | NOTCJYLNPCINJS-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 acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstetracarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidtetracarboxylic acid or derivativesfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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