| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:02 UTC |
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| Update Date | 2025-03-25 00:50:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180865 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9ClO5 |
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| Molecular Mass | 196.0139 |
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| SMILES | O=C(O)CCC(O)(CCl)C(=O)O |
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| InChI Key | NFYAVQILHOVCCF-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 acidschlorohydrinsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganochloridesshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidchlorohydrinalkyl chlorideorganochloridealpha-hydroxy acidcarboxylic acid derivativeorganohalogen compoundorganic oxidealkyl halidehydroxy fatty acidalcoholhalogenated fatty acidhalohydrinhydroxy acidbranched fatty acidtertiary alcoholorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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