| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:54 UTC |
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| Update Date | 2025-03-21 17:58:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012940 |
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| Frequency | 348.8 |
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| Structure | |
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| Chemical Formula | C8H12N2O5 |
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| Molecular Mass | 216.0746 |
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| SMILES | NC(CCC(=C=O)NCC(=O)O)C(=O)O |
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| InChI Key | BRWYFRCXQXBMCL-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 | amino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsecondary aliphatic aminesecondary amineamino fatty acidorganic oxygen compoundynolatedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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