| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:33 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184273 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO7 |
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| Molecular Mass | 249.0849 |
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| SMILES | NC(CC(=O)OCCC(O)CC(=O)O)C(=O)O |
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| InChI Key | YCKQEUNBHFATOI-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 acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativeshydroxy acidfatty acid esterbeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativesorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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