| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:16 UTC |
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| Update Date | 2025-03-21 18:28:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074787 |
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| Frequency | 39.6 |
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| Structure | |
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| Chemical Formula | C12H21NO4 |
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| Molecular Mass | 243.1471 |
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| SMILES | CCCCCCC=CC(=O)C(O)C(N)C(=O)O |
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| InChI Key | GJQUBUGPLXQZEW-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 compoundsacyloinsalpha-hydroxy ketonesamino fatty acidsbeta hydroxy acids and derivativescarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketoneketonebeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidenonealcoholhydroxy acidamino fatty acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinsecondary alcoholhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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