Our findings identified five structural categories of PFAS prone to metabolism. The metabolism pathways of PFAS are highly related to their structures and significantly impact their bioaccumulations and toxicities. We also verified CES1 as an enzyme capable of hydrolyzing diverse PFAS, with strong substrate preferences towards perfluoroalkyl amides. This dataset is not publicly accessible because: Data generated by external academic lab with chemicals provided by EPA under an MTA. EPA’s contribution was providing the PFAS library. It can be accessed through the following means: Contact the corresponding author Hui Peng,
Mailing address: Department of Chemistry, University of Toronto, Toronto, Ontario, M5S3H6, Canada.
E-mail address: hui.peng@utoronto.ca. Format: Not available.
This dataset is associated with the following publication:
Han, J., W. Gu, H. Barrett, D. Yang, S. Tang, J. Sun, J. Liu, H. Krause, K. Houck, and H. Peng. A Roadmap to the Structure-Related Metabolism Pathways of Per- and Polyfluoroalkyl Substances in the Early Life Stages of Zebrafish (Danio rerio). ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, USA, 129(7): 077004, (2021).