| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:18 UTC |
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| Update Date | 2025-03-25 00:51:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188323 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H9ClO4 |
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| Molecular Mass | 168.0189 |
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| SMILES | CC(O)(C(=O)O)C(O)CCl |
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| InChI Key | FFNTVNAXKSSNEZ-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 | 1,2-diolsalkyl chloridesalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganochloridessecondary alcoholsshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidchlorohydrinalkyl chlorideorganochloridealpha-hydroxy acidcarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidorganic oxidealkyl halidehydroxy fatty acid1,2-diolhalogenated fatty acidalcoholmethyl-branched fatty acidhalohydrinhydroxy acidbranched fatty acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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