| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:29 UTC |
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| Update Date | 2025-03-21 18:03:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046941 |
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| Frequency | 71.1 |
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| Structure | |
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| Chemical Formula | C11H15NO4 |
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| Molecular Mass | 225.1001 |
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| SMILES | CCCCC=CC(=O)C(=C=O)NCC(=O)O |
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| InChI Key | QUNRDFYULRLCSL-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 acidscarboxylic acidsdialkylaminesenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsynolates |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidalpha,beta-unsaturated ketoneketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonesecondary aliphatic aminesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundynolatehydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundamine |
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