| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:56 UTC |
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| Update Date | 2025-03-21 18:28:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071569 |
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| Frequency | 52.2 |
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| Structure | |
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| Chemical Formula | C11H17NO5 |
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| Molecular Mass | 243.1107 |
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| SMILES | CCCCC=CC(=O)C(O)C(O)=NCC(=O)O |
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| InChI Key | XVEURAKEARLSCX-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 ketonesbeta-hydroxy ketonescarboximidic acidscarboxylic acidsenoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonemonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonepropargyl-type 1,3-dipolar organic compoundketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonealcoholorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compound |
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