| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:49 UTC |
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| Update Date | 2025-03-25 00:59:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239687 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H6ClNO2 |
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| Molecular Mass | 135.0087 |
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| SMILES | NCC=C(Cl)C(=O)O |
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| InChI Key | AONNALBKPGSDTD-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 | halogenated fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-halocarboxylic acidscarbonyl compoundscarboxylic acidschloroalkeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsunsaturated fatty acidsvinyl chlorides |
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| Substituents | alpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganochloridealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundunsaturated fatty acidorganic oxideorganonitrogen compoundorganopnictogen compoundhalogenated fatty acidchloroalkenemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundvinyl chlorideorganooxygen compound |
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