SOACS index: an easy NMR-based query for glycan retrieval

(1)H NMR is now a standard method to determine de novo primary sequence of all sorts of glycans. These last 30 years, tens of thousands of oligosaccharide sequences have been elucidated by NMR spectroscopy in conjunction with other physico-chemical methods including mass spectrometry and gas chromatography. Most of these sequences are now compiled and available in several web databases recently unified in publicly available GlycomeDB, along with sets of experimental data. However, because the search for an exact sequence exclusively based on proton chemical shifts is sometimes delicate for NMR non-specialists, we worked out a new type of query, named SOACS, which allows the easy retrieval of existing sequences. This query is based on the readily distinguished (1)H chemical shifts from any (1)H NMR spectrum, and was designed to be usable to the widest scientist community. Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.