|
Metabolite
|
Biochemical class
|
Correlation with assay read-out
|
Correlation with galactose
|
lm(AG_Sal_H ~ met + galactose)
|
|---|
|
r2
|
p
|
r2
|
p
|
p
|
|---|
|
Galactose
|
Carbohydrate
|
0.704
|
4.7 × 10−23
|
–
|
–
|
–
|
|
N-acetylglucosamine
|
Carbohydrate
|
0.436
|
9.2 × 10−12
|
0.787
|
7.8 × 10−29
|
2.5 × 10−03
|
|
Fucose
|
Carbohydrate
|
0.376
|
5.4 × 10−10
|
0.542
|
3.1 × 10−15
|
0.99
|
|
Xylose
|
Carbohydrate
|
0.318
|
2.5 × 10−08
|
0.506
|
6.1 × 10−14
|
0.47
|
|
Mannose
|
Carbohydrate
|
0.276
|
2.3 × 10−07
|
0.396
|
1.4 × 10−10
|
0.97
|
|
O-acetylserine
|
Amino acid
|
0.355
|
1.9 × 10−06
|
0.524
|
7.9 × 10−10
|
0.84
|
|
Putrescine
|
Amine
|
0.234
|
2.5 × 10−06
|
0.451
|
3.0 × 10−12
|
0.09
|
|
Ribose
|
Carbohydrate
|
0.232
|
2.7 × 10−06
|
0.403
|
9.0 × 10−11
|
0.31
|
|
1,2-propanediol
|
Lipid
|
0.200
|
1.5 × 10−05
|
0.279
|
2.0 × 10−07
|
0.89
|
|
X-14904
|
Unknown
|
0.186
|
3.0 × 10−05
|
NS
|
NS
|
2.2 × 10−04
|
|
X-18059
|
Unknown
|
0.186
|
3.1 × 10−05
|
NS
|
NS
|
5.9 × 10−04
|
|
Lysylproline
|
Peptide
|
0.185
|
3.3 × 10−05
|
0.413
|
4.5 × 10−11
|
0.02
|
- The association trend was positive for all significantly correlating metabolites. We analysed correlation of those metabolites with galactose, which correlation with assay read-out was the strongest. No significance in correlation between metabolites and galactose is expressed as NS. We applied linear regression (lm) of 1,5-AG measured with Glycomark (AG_Sal_H) against 1,5-AG measured on non-targeted metabolomics platform (AG_Sal_M) and corrected on the covariate (met), listed in the “Metabolite name” column. Metabolites with similar chemical structure to 1,5-AG are highlighted in italics
