| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:01 UTC |
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| Update Date | 2025-03-25 00:47:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162475 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O6 |
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| Molecular Mass | 230.0539 |
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| SMILES | O=C(O)C=CC(=O)NCC(=O)NCC(=O)O |
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| InChI Key | WDVGOPDODFJHFS-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha peptideunsaturated fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amidecarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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