Table 1

Top 20 positive GGM edge weights (i.e. partial correlation coefficients, PCC) in our data set along with proposed metabolic pathway explanations

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

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

Krumsiek et al. BMC Systems Biology 2011 5:21   doi:10.1186/1752-0509-5-21