Research Article
Predicting Glycerophosphoinositol Identities in Lipidomic
Datasets Using VaLID (Visualization and Phospholipid
Identification)—An Online Bioinformatic Search Engine
Graeme S. V. McDowell,
1,2,3
Alexandre P. Blanchard,
1,2,3
Graeme P. Taylor,
1,2
Daniel Figeys,
2,3
Stephen Fai,
3,4
and Steffany A. L. Bennett
1,2,3
1
Neural Regeneration Laboratory, Department of Biochemistry, Microbiology, and Immunology, University of Ottawa,
ON, Canada K1H 8M5
2
Ottawa Institute of Systems Biology, Department of Biochemistry, Microbiology, and Immunology, University of Ottawa,
ON, Canada K1H 8M5
3
CIHR Training Program in Neurodegenerative Lipidomics, Department of Biochemistry, Microbiology, and Immunology,
University of Ottawa, ON, Canada K1H 8M5
4
Carleton Immersive Media Studio, Azrieli School of Architecture and Urbanism, Carleton University, ON, Canada K1S 5B6
Correspondence should be addressed to Stefany A. L. Bennett; sbennet@uottawa.ca
Received 6 November 2013; Accepted 23 December 2013; Published 20 February 2014
Academic Editor: Tao Huang
Copyright © 2014 Graeme S. V. McDowell et al. his is an open access article distributed under the Creative Commons Attribution
License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly
cited.
he capacity to predict and visualize all theoretically possible glycerophospholipid molecular identities present in lipidomic
datasets is currently limited. To address this issue, we expanded the search-engine and compositional databases of the online
Visualization and Phospholipid Identiication (VaLID) bioinformatic tool to include the glycerophosphoinositol superfamily.
VaLID v1.0.0 originally allowed exact and average mass libraries of 736,584 individual species from eight phospholipid classes:
glycerophosphates, glyceropyrophosphates, glycerophosphocholines, glycerophosphoethanolamines, glycerophosphoglycerols,
glycerophosphoglycerophosphates, glycerophosphoserines, and cytidine 5
-diphosphate 1,2-diacyl-sn-glycerols to be searched for
any mass to charge value (with adjustable tolerance levels) under a variety of mass spectrometry conditions. Here, we describe an
update that now includes all possible glycerophosphoinositols, glycerophosphoinositol monophosphates, glycerophosphoinositol
bisphosphates, and glycerophosphoinositol trisphosphates. his update expands the total number of lipid species represented in
the VaLID v2.0.0 database to 1,473,168 phospholipids. Each phospholipid can be generated in skeletal representation. A subset of
species curated by the Canadian Institutes of Health Research Training Program in Neurodegenerative Lipidomics (CTPNL) team is
provided as an array of high-resolution structures. VaLID is freely available and responds to all users through the CTPNL resources
web site.
1. Introduction
he emerging ield of lipidomics seeks to answer two seem-
ingly simple questions: How many lipid species are there?
What efect does lipid diversity have on cellular function? To
address these questions, lipidomics requires a comprehensive
assessment of cellular, regional, and systemic lipid home-
ostasis. his assessment expands beyond lipid proiling to
include the transcriptomes and proteomes of lipid metabolic
enzymes and transporters, as well as that of the protein
targets that afect downstream lipid signalling [1]. Lipidomic
analyses also encompass an unbiased mechanistic assessment
of lipid function ranging from the physicochemical basis of
lipid behaviour to lipid-protein and lipid-lipid interactions
triggered by intrinsic and extrinsic stimuli [1]. he irst
step, however, lies in identifying the molecular identities
of the lipid constituents in diferent membrane compart-
ments.
Hindawi Publishing Corporation
BioMed Research International
Volume 2014, Article ID 818670, 8 pages
http://dx.doi.org/10.1155/2014/818670