Table 1 Top 20 positive GGM edge weights (i.e. partial correlation coefficients, PCC) in our data set along with proposed metabolic pathway explanations
From: Gaussian graphical modeling reconstructs pathway reactions from high-throughput metabolomics data
Metabolite 1 | Metabolite 2 | PCC | Comment |
|---|---|---|---|
Val | xLeu | 0.821 | Branched-chain amino acids |
SM C18:0 | SM C18:1 | 0.767 | SCD/SCD5 desaturation |
SM C16:1 | SM C18:1 | 0.765 | ELOVL6 |
PC ae C34:2 | PC ae C36:3 | 0.752 | 2 reaction steps |
SM (OH) C22:1 | SM (OH) C22:2 | 0.743 | sphingolipid-specific desaturation? |
PC aa C34:2 | PC aa C36:2 | 0.735 | ELOVL1/ELOVL6 elongation |
C10:0-carn | C8:0-carn | 0.735 | β-oxidation step |
lysoPC a C16:0 | lysoPC a C18:0 | 0.731 | ELOVL6 elongation |
PC aa C38:6 | PC aa C40:6 | 0.709 | ACOX1/3 + various ELOVLs |
SM (OH) C14:1 | SM (OH) C16:1 | 0.686 | sphingolipid-specific elongation? |
PC aa C36:4 | PC aa C38:4 | 0.672 | ACOX1/3 + various ELOVLs |
PC aa C32:1 | lysoPC a C16:1 | 0.661 | C16:0/C16:1 phospholipid association |
PC aa C38:5 | PC aa C40:5 | 0.653 | various ELOVLs |
PC ae C34:3 | PC ae C36:5 | 0.607 | at least 3 reaction steps |
PC aa C36:5 | PC aa C38:5 | 0.596 | ACOX1/3 + various ELOVLs |
SM C24:0 | SM C24:1 | 0.577 | sphingolipid-specific desaturation? |
PC ae C32:1 | PC ae C32:2 | 0.574 | SCD/SCD5 desaturation |
SM (OH) C22:2 | SM C24:1 | 0.567 | possible elongation intermediate |
C18:1-carn | C18:2-carn | 0.561 | β-oxidation intermediate |