Elemental Stoichiometry as an Ecological Biosignature with Applications to Life Detection

Abstract: The vast chemical space of possible small molecules, estimated at 10^60 compounds for molecules composed of just C, N, O, and S, is only sparsely occupied by biology. We propose that where life selects molecules within this space constitutes a detectable ecological signature: a fingerprint not of specific compounds, but of the statistical structure of elemental composition across molecules sam-pled from ecological systems. Here we introduce a framework combining Van Krevelen diagrams and element scaling laws to characterize the elemental composition of regions of chemical space occupied by biological systems and contrast them with other chemical systems. Applying this framework to 11,834 microbial metagenomic samples, we show that microbial metabolisms occupy a region of chemical space, which is enriched in heteroatoms such as P, S, N, and O relative to C, shifted toward higher O:C and H:C ratios. We observe sublinear element scaling with system size, yielding insights into how elemental constraints dictate how biological systems occupy chemical space. These patterns are distinct from a sample of 18,000 compounds from the comprehensive Reaxys synthetic chemical database. Critically, datasets from molecules detected in planetary science mission data occupy statistically distinct regions from both terrestrial biological and Reaxys distributions, demonstrating that with standardized methods for data collection, the approach could be developed to discriminate biotic from abiotic chemical signatures in small molecule data from planetary science missions. Our work shows how a combination of Van Krevelen fingerprinting and elemental scaling laws can provide a new class of ecological biosignatures for life detection leveraging mass spectrometric data from planetary missions, which could generalize beyond Earth's specific biochemistry.