| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:04 UTC |
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| Update Date | 2025-03-25 00:55:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213130 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21NO5 |
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| Molecular Mass | 271.142 |
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| SMILES | CCCCCCC(O)=CC(=O)CC(O)=NCC(=O)O |
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| InChI Key | CBELQSBGNJZQGB-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 compoundsbeta-hydroxy ketonescarboximidic acidscarboxylic acidsenoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsvinylogous acidsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonepropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenoneorganic 1,3-dipolar compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compound |
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