| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:30 UTC |
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| Update Date | 2025-03-25 00:47:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159104 |
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| Frequency | 0.5 |
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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 | C=C(C)C(=O)CCCCC(O)=NCC(=O)O |
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| InChI Key | FTTFSECZRUCCFW-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 compoundsalpha-branched alpha,beta-unsaturated ketonescarboximidic acidscarboxylic acidsenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundalpha,beta-unsaturated ketonepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundenone |
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