| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:45 UTC |
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| Update Date | 2025-03-25 00:48:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170999 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7ClO5 |
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| Molecular Mass | 181.9982 |
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| SMILES | COC(=O)C(O)C(Cl)C(=O)O |
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| InChI Key | NZMGBQRBZBNWOG-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 acidschlorohydrinsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativeshydroxy fatty acidsmethyl estersorganic 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 oxidemethyl esteralkyl halidehydroxy fatty acidhalogenated fatty acidalcoholhalohydrinhydroxy acidfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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