| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:33 UTC |
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| Update Date | 2025-03-21 18:00:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027956 |
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| Frequency | 141.6 |
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| Structure | |
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| Chemical Formula | C11H17NO4 |
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| Molecular Mass | 227.1158 |
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| SMILES | CCCCC=CC(=O)C(NC(C)=O)C(=O)O |
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| InChI Key | YIMVKMKPLQXFCT-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacetamidesacryloyl compoundsalpha amino acidsamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenonesfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonebeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideenonen-acyl-alpha-amino acidcarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeacryloyl-grouporganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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