| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:59 UTC |
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| Update Date | 2025-03-21 18:28:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071708 |
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| Frequency | 41.8 |
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| Structure | |
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| Chemical Formula | C4H5ClO5 |
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| Molecular Mass | 167.9826 |
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| SMILES | O=C(O)C(O)C(Cl)C(=O)O |
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| InChI Key | RPYFCSSBCCDMQG-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 derivativesalpha-halocarboxylic acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic 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-hydroxy acidalpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidorganic oxidealkyl halidehydroxy fatty acidhalogenated fatty acidalcoholhalohydrinhydroxy acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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