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Table 2 List of 48 metabolites in targeted MS/MS analysis of colorectal cancer vs. healthy controls. Variable importance in projection (VIP) and multivariate correlation coefficients are provided (PC: Phosphatidylcholine, Lyso-PC: lysophosphatidylcholine, ae: acyl-alkyl, aa: diacyl, SM: sphingomyelin)

From: A quantitative multimodal metabolomic assay for colorectal cancer

Abbreviated name Metabolite VIP Centered and scaled coefficient
Gln Glutamine 1.177 −0.129
PC aa C42:4 Phosphatidylcholine diacyl C42:4 1.168 0.007
lysoPC a C26:1 lysoPhosphatidylcholine acyl C26:1 1.155 0.035
PC ae C40:3 Phosphatidylcholine acly-alkyl C40:3 1.152 0.009
lysoPC a C6:0 lysoPhosphatidylcholine acyl C6:0 1.145 0.044
PC ae C38:1 Phosphatidylcholine acly-alkyl C38:1 1.139 0.035
PC ae C44:3 Phosphatidylcholine acly-alkyl C44:3 1.131 0.024
PC ae C30:2 Phosphatidylcholine acyl-alkyl C 30:2 1.116 −0.015
PC ae C40:4 Phosphatidylcholine acly-alkyl C40:4 1.109 0.009
PC ae C42:1 Phosphatidylcholine acly-alkyl C42:1 1.100 0.029
Ser Serine 1.097 0.115
PC aa C40:2 Phosphatidylcholine diacyl C40:2 1.095 −0.002
PC aa C40:3 Phosphatidylcholine diacyl C40:3 1.095 0.007
PC ae C40:5 Phosphatidylcholine acly-alkyl C40:5 1.085 0.011
lysoPC a C24:0 lysoPhosphatidylcholine acyl C24:0 1.068 0.042
C18:1 Octadecenoylcarnitine 1.059 0.073
PC ae C38:3 Phosphatidylcholine acly-alkyl C38:3 1.058 −0.009
PC ae C38:2 Phosphatidylcholine acly-alkyl C38:2 1.052 0.004
PC aa C42:2 Phosphatidylcholine diacyl C42:2 1.034 −0.042
PC ae C40:2 Phosphatidylcholine acly-alkyl C40:2 1.033 0.022
C18:2 Octadecadienylcarnitine 1.029 0.114
PC aa C40:1 Phosphatidylcholine diacyl C40:1 0.999 −0.022
PC ae C42:4 Phosphatidylcholine acly-alkyl C42:4 0.998 0.003
PC aa C24:0 Phosphatidylcholine diacyl C24:0 0.987 0.008
Met Methionine 0.984 −0.028
PC ae C36:1 Phosphatidylcholine acly-alkyl C36:1 0.978 0.002
PC aa C42:5 Phosphatidylcholine diacyl C42:5 0.977 0.011
PC ae C42:2 Phosphatidylcholine acly-alkyl C42:2 0.974 0.004
PC ae C30:1 Phosphatidylcholine acly-alkyl C30:1 0.968 −0.017
C16:1 Hexadecenoyl-L-carnitine 0.962 0.005
PC ae C42:3 Phosphatidylcholine acly-alkyl C42:3 0.957 −0.030
lysoPC a C28:0 lysoPhosphatidylcholine acyl C28:0 0.944 0.033
C3:1 Propenoylcarnitine 0.938 0.031
C16 Hexadecanoylcarnitine 0.927 0.103
PC ae C40:1 Phosphatidylcholine acly-alkyl C40:1 0.922 −0.037
C3-OH Hydroxypropionylcarnitine 0.913 0.013
lysoPC a C26:0 lysoPhosphatidylcholine acyl C26:0 0.911 0.012
Val Valine 0.906 −0.063
Orn Ornithine 0.896 0.201
C16:1-OH Hydroxyhexadecenoyl-L-carnitine 0.885 0.062
PC aa C26:0 Phosphatidylcholine diacyl C26:0 0.880 0.033
PC ae C42:5 Phosphatidylcholine acly-alkyl C42:5 0.875 −0.001
Trp Tryptophan 0.841 −0.067
PC ae C38:6 Phosphatidylcholine acly-alkyl C38:6 0.837 −0.112
C10:1 Decenoylcarnitine 0.828 −0.137
C3 Propionylcarnitine 0.827 −0.023
PC ae C36:5 Phosphatidylcholine acly-alkyl C36:5 0.780 −0.094
SM C22:3 Sphingomyeline C22:3 0.708 −0.059