| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:42 UTC |
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| Update Date | 2025-03-25 00:57:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223791 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O6 |
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| Molecular Mass | 244.0695 |
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| SMILES | NC(CCC(=O)C(=C=O)NCC(=O)O)C(=O)O |
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| InChI Key | AOGXLBSKTKKBMZ-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsamino acidsamino fatty acidscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesenonesfatty acylshydrocarbon derivativesketonesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidenonesecondary aliphatic aminesecondary amineamino fatty acidorganic oxygen compoundynolatedicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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