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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
  1. Most metabolite pairs can be directly linked to reactions in the fatty acid biosynthesis pathway, the β-oxidation pathway or amino acid-associated pathways.