| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:02 UTC |
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| Update Date | 2025-03-25 00:57:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224538 |
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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 | O=C(O)C(O)C(CO)CCl |
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| InChI Key | CYXCILOYTNGVJR-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 acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalkyl chlorideorganochloridealpha-hydroxy acidmonosaccharidecarboxylic acid derivativeorganohalogen compoundsaccharideorganic oxidealkyl halidehydroxy fatty acidprimary alcoholhalogenated fatty acidalcoholhydroxy acidbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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