WIN18,446 Metabolite and Protein Adducts Identified via Mass Spectrometry

Alex Zelter's dataset documents the identification of a novel aldehyde metabolite, M-54, derived from the compound WIN18,446. The data includes the characterization of associated WIN18,446-ALDH1A2 protein adducts using proteomics techniques, with a specific adduct mass of 292.07 Da identified on cysteine C319. The dataset was last updated on May 13, 2026.

Use Cases

• Validate drug-protein adduct identification workflows based on the described proteomics techniques.
• Study the mechanism of irreversible enzyme inhibition based on the identified metabolite and covalent adducts.
• Investigate ALDH1A family enzyme dysregulation in disease contexts based on the dataset's focus on retinoic acid synthesis.
• Analyze mass spectrometry data for novel metabolite discovery based on the identification of the M-54 aldehyde.

Strengths

• Includes a specific identified adduct mass of 292.07 Da.
• Provides data from human liver samples from multiple donors.
• Dataset is openly licensed under CC-BY-4.0.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is small at 8.4 MB, indicating limited scale.

Provenance

Source

Alex Zelter via figshare

Collection Method

Data generated using mass spectrometry and proteomics techniques as described.

Freshness

Last updated 2026-05-13 07:40:04; freshness should be verified.