| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:43:53 UTC |
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| Update Date | 2025-03-21 18:49:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00166676 |
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| Frequency | 14.2 |
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| Structure | |
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| Chemical Formula | C4H7ClO3 |
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| Molecular Mass | 138.0084 |
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| SMILES | CC(O)C(Cl)C(=O)O |
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| InChI Key | QTQIANGQRHQQJU-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-halocarboxylic acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganochloridessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidchlorohydrinalkyl chlorideorganochloridealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidorganic oxidealkyl halidehydroxy fatty acidhalogenated fatty acidalcoholhalohydrinhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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