| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:48:23 UTC |
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| Update Date | 2025-03-25 01:11:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02312089 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9NO3 |
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| Molecular Mass | 143.0582 |
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| SMILES | CC(=O)C=C(CN)C(=O)O |
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| InChI Key | SQLBQDMYBGNRJV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | branched fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundscarboxylic acidsenoneshydrocarbon derivativesketonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidketoneunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundenone |
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