Summary of Study ST001047

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench,, where it has been assigned Project ID PR000699. The data can be accessed directly via it's Project DOI: 10.21228/M8B10B This work is supported by NIH grant, U2C- DK119886.


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Study IDST001047
Study Title1H-NMR urinary metabolomic profiling for diagnosis of gastric cancer.
Study SummaryBackground: Metabolomics has shown promise in gastric cancer (GC) detection. This research sought to identify whether GC has a unique urinary metabolomic profile compared with benign gastric disease (BN) and healthy (HE) patients. Methods: Urine from 43 GC, 40 BN, and 40 matched HE patients was analysed using 1H nuclear magnetic resonance (1H-NMR) spectroscopy, generating 77 reproducible metabolites (QC-RSD <25%). Univariate and multivariate (MVA) statistics were employed. A parsimonious biomarker profile of GC vs HE was investigated using LASSO regularised logistic regression (LASSO-LR). Model performance was assessed using Receiver Operating Characteristic (ROC) curves. Results: GC displayed a clear discriminatory biomarker profile; the BN profile overlapped with GC and HE. LASSO-LR identified three discriminatory metabolites: 2-hydroxyisobutyrate, 3-indoxylsulfate, and alanine, which produced a discriminatory model with an area under the ROC of 0.95. Conclusions: GC patients have a distinct urinary metabolite profile. This study shows clinical potential for metabolic profiling for early GC diagnosis.
University of Alberta
Last NameBroadhurst
First NameDavid
AddressDepartment of Medicine, 4126A Katz Group Centre for Pharmacy & Health, University of Alberta, Edmonton, AB T6G 2E1, Canada.
Phone+61 8 6304 2705
Submit Date2018-09-03
PublicationsChan, A. W., Mercier, P., Schiller, D., Bailey, R., Robbins, S., Eurich, D. T., Sawyer, M. B., Broadhurst, D. (2016). 1H-NMR urinary metabolomic profiling for diagnosis of gastric cancer. British Journal of Cancer, 114(1), 59-62. doi:10.1038/bjc.2015.414
Raw Data File Type(s)d
Analysis Type DetailNMR
Release Date2018-10-10
Release Version1
David Broadhurst David Broadhurst application/zip

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Sample Preparation:

Sampleprep ID:SP001094
Sampleprep Summary:Urine aliquots were thawed and prepared by adding 75 μL of a chemical shift standard (Chenomx Inc., Edmonton, Alberta, Canada) containing 4.6 mM 2,2-dimethyl-2-silapentane-5-sulfonate-d6 sodium salt (DSS-D6), 0.20% w/v NaN3 and 98.0% v/v D2O, to 675 μL of urine. Samples were titrated to a final pH of 6.75 ± 0.05 using small volumes of sodium hydroxide (NaOH) and hydrochloric acid (HCl). Samples were centrifuged for 10 minutes at 10000 x g at 4 °C to remove particulate matter. Next, 700 μL of supernatant was transferred to a 4” long, 5 mm diameter NMR tube (Wilmad, Nuena, NJ, USA 505-PS-4) immediately prior to NMR acquisition.