| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:17:51 UTC |
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| Update Date | 2025-03-21 20:52:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00385025 |
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| Frequency | 4.8 |
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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 | O=C(O)C(=O)CCCl |
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| InChI Key | DWIFEYMXKLYISJ-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 | alkyl chloridesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesshort-chain keto acids and derivatives |
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| Substituents | halogenated fatty acidaliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl chlorideorganochlorideshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidalkyl halidehydrocarbon derivativeorganooxygen compound |
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