From molecular lipidomics to interpretable food lipid profiles: the Lipid Food Profile module in LipidOne

Abstract

LC/MS-based food lipidomics provides detailed information on intact lipid species, but the resulting datasets are often difficult to translate into concepts directly useful for food quality, processing, nutritional profiling and authenticity assessment. Here, we present Lipid Food Profile (LFP), a module of the LipidOne platform designed to convert annotated LC/MS lipidomics data into interpretable food-relevant lipid indices. LFP applies an in silico hydrolysis strategy to reconstruct acyl, alkyl and alkenyl chains from intact lipid species while preserving their lipid-class origin. The reconstructed information is then summarized into index categories related to food lipid quality, compositional balance, omega balance, oxidative stability, chain remodelling and ether-linked chain contribution. The interpretative value of LFP was evaluated using three published food lipidomics datasets addressing different analytical questions: X-ray-induced lipid remodelling in Chlorella vulgaris, spatial lipid heterogeneity in Mugil cephalus bottarga, and geographical-origin assessment of camel milk. Across these case studies, LFP recovered the main conclusions of the original lipidomics investigations, including treatment-associated lipid remodelling, inner-outer layer differences in bottarga and regional variation in camel milk. Importantly, LFP reorganized these findings into a smaller number of food-oriented indices, providing additional information on saturation balance, oxidative susceptibility, chain architecture and classification potential. Overall, LFP provides an interpretative layer for LC/MS food lipidomics that complement conventional fatty-acid analysis and molecular-species-based interpretation. By translating complex lipidomic tables into structured lipid index profiles, the module may support more accessible and chemically meaningful analysis of food composition, processing effects, lipid quality and exploratory traceability applications. LFP is freely accessible through the LipidOne web platform (LipidOne.eu). HighlightsO_LILipid Food Profile translates LC/MS food lipidomics into interpretable lipid indices. C_LIO_LIThe workflow preserves chain and lipid-class information without chemical hydrolysis. C_LIO_LIPublished case studies show that LFP recovers and extends previous interpretations. C_LIO_LILFP supports food quality, processing and exploratory origin/authenticity assessment. C_LIO_LIThe module complements conventional fatty-acid analysis and molecular lipidomics. C_LI