| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:59 UTC |
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| Update Date | 2025-03-21 18:39:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124615 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C5H3NO4 |
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| Molecular Mass | 141.0062 |
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| SMILES | N#CC(=CC(=O)O)C(=O)O |
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| InChI Key | YTGCVCAEGYLSCZ-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 | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidcarboxylic acid derivativebranched fatty acidunsaturated fatty acidorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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