| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:58 UTC |
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| Update Date | 2025-03-25 00:55:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02212899 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO6 |
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| Molecular Mass | 273.1212 |
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| SMILES | CCCCCC(O)=CC(=O)C(NCC(=O)O)C(=O)O |
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| InChI Key | TXHNBQABIZRRCO-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 | 1,3-dicarbonyl compoundsacryloyl compoundsamino acidsamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylaminesdicarboxylic acids and derivativesenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesorganic oxidesorganopnictogen compoundsvinylogous acidsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonebeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidenonesecondary aliphatic aminesecondary amineamino fatty acidvinylogous acidorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-grouporganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundaminemedium-chain keto acid |
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