| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:57 UTC |
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| Update Date | 2025-03-25 01:00:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244653 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO6 |
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| Molecular Mass | 285.1212 |
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| SMILES | CCCCC=CC(=O)C(O)=NC(CCC(=O)O)C(=O)O |
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| InChI Key | IZMDBWJTAKODQI-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha amino acidsalpha-hydroxy ketonescarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesenoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha,beta-unsaturated ketonealpha-hydroxy ketonepropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenoneorganic 1,3-dipolar compoundglutamic acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compound |
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