| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:47:04 UTC |
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| Update Date | 2025-03-25 01:34:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02448771 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H5ClO3 |
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| Molecular Mass | 135.9927 |
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| SMILES | C=CC(O)(Cl)C(=O)O |
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| InChI Key | LNPMHXSAJXVJGC-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 | alcohols and polyolsalkyl chloridesalpha hydroxy acids and derivativesalpha-halocarboxylic acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganochloridesshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholalpha-halocarboxylic acid or derivativeshalogenated fatty acidaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalkyl chlorideorganochloridealpha-hydroxy acidhydroxy acidalpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl halidehydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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