Summary of project PR002363
This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR002363. The data can be accessed directly via it's Project DOI: 10.21228/M8653M This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
| Project ID: | PR002363 |
| Project DOI: | doi: 10.21228/M8653M |
| Project Title: | Molecular fingerprint inference reveals bioactive lipids and microbial metabolites in colitis |
| Project Summary: | Untargeted metabolomics provides a sensitive readout of small molecules in biofluids, but requires targeted approaches to resolve ~90% of features for which tandem mass spectra (MS/MS) are not collected. By training on a subset of verified metabolites and their profiles in LC-MS, we derive a probabilistic model to predict molecular fingerprints in human stool and blood samples. These predictions, which do not utilize MS/MS, were accurate for >44% (correct top ranked candidate) or >75% (correct within top 3) of test metabolites, drastically reducing the number of reference standards that would need to be to be tested. These predictions revealed markers and drivers of inflammation, including amino acid derivatives and lysophospholipids with herein demonstrated platelet-activating factor receptor (PAF-R) activity. Integration with bacterial culturomics facilitates tracking the source of inflammation-associated metabolites to their origins in the gut microbiome. |
| Institute: | Broad Institute of MIT and Harvard |
| Last Name: | Avila-Pacheco |
| First Name: | Julian |
| Address: | 415 Main Street |
| Email: | jravilap@broadinstitute.org |
| Phone: | +1 (617) 714-1729 |
Summary of all studies in project PR002363
| Study ID | Study Title | Species | Institute | Analysis(* : Contains Untargted data) | Release Date | Version | Samples | Download(* : Contains raw data) |
|---|---|---|---|---|---|---|---|---|
| ST003786 | Molecular fingerprint inference reveals bioactive lipids and microbial metabolites in colitis | Homo sapiens | Broad Institute of MIT and Harvard | MS* | 2025-08-04 | 1 | 74 | Uploaded data (16.7G)* |
| ST003799 | Molecular fingerprint inference reveals bioactive lipids and microbial metabolites in colitis. Study 2. | Dorea longicatena | Broad Institute of MIT and Harvard | MS* | 2025-08-04 | 1 | 248 | Uploaded data (133.8G)* |
| ST003910 | Molecular fingerprint inference reveals bioactive lipids and microbial metabolites in colitis. Study 3. | Bifidobacterium longum; Clostridium sporogenes; Clostridium innocuum; Escherichia coli BL21(DE3); Streptococcus infantis; Streptococcus parasanguinis | Broad Institute of MIT and Harvard | MS* | 2025-08-04 | 1 | 185 | Uploaded data (126.1G)* |
| ST003911 | Molecular fingerprint inference reveals bioactive lipids and microbial metabolites in colitis. Study 4 | Eggerthella lenta; Fusobacterium nucleatum | Broad Institute of MIT and Harvard | MS* | 2025-08-04 | 1 | 168 | Uploaded data (111G)* |
