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 |