| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:12 UTC |
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| Update Date | 2025-03-25 01:00:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242872 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO5 |
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| Molecular Mass | 257.1263 |
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| SMILES | C=CC(=O)C(O)CCCCCC(O)=NCC(=O)O |
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| InChI Key | AVLBCGDATSMUPL-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 ketonescarboximidic acidscarboxylic acidsenoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidmonosaccharidealpha,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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