| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:14 UTC |
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| Update Date | 2025-03-21 18:37:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118219 |
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| Frequency | 35.3 |
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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 | O=C(O)CC(NC(=O)CC(O)C(=O)O)C(=O)O |
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| InChI Key | OFBFQKMZUPEECZ-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 acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidfatty amidetricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhydroxy acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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