Table 3.

Summary of the most significant extracellular metabolites differentiating between media of SW48 cells with KRAS mutations in codons 12 and 13 and media of their wild type counterpart

Metabolite (HMDB no)	1H NMR chemical shift in ppm and multi-plicity	G13D/+ vs +/+	G12S/+ vs +/+	G12A/+ vs +/+	G12C/+ vs +/+	G12D/+ vs +/+	G12V/+ vs +/+	G12R/+ vs +/+
3-methyl-2-oxo-valeric acid (00491)	0.897 (t), 1.102 (d)	↓	–	–	↑	–	↓	↑
keto-leucine (00695)	0.94(d), 2.617(d)	↓	–	↓	–	–	↓	–
Isoleucine (00172)	0.943 (t), 1.01 (d), 3.675 (d)	–	–	–	↓	–	–	↓
Leucine (00687)	0.961 (d), 0.972 (d), 1.691 (m), 1.720 (m), 1.748 (m), 3.737 (dd)	–	–	–	↓	–	–	↓
Valine (00883)	0.996 (d), 1.046 (d), 3.615 (d)	–	–	–	↓	–	–	↓
2-Oxo-isovaleric acid (00019)	1.126 (d)	↓	–	–	–	–	↓	↑
Lactate (00190)	1.331 (d), 4.113 (q)	↓	↓	↑	↑	–	↑	↑
Threonine (00167)	1.335 (d), 3.591 (d)	↓	–	–	–	–	–	–
Alanine (00161)	1.48 (d), 3.787 (q)	–	↓	–	–	↑	↑	–
l-Alanyl-l-glutamine (0028685)	1.546 (d), 1.98 (m), 2.35 (t), 4.182	↓	↑	↓	–	↓	↓	↓
Acetate (00042)	1.919 (s)	↑	↑	↑	↓	–	–	↓
Glutamate (00148)	2.059 (m), 2.140 (m), 2.355 (m), 3.761 (dd)	↑	–	–	–	–	↑	↑
Glutamine (00641)	2.145 (m), 2.46 (m), 3.783 (t)	–	↓	–	–	↑	–	–
Methionine (0000696)	2.1 (s), 2.65 (t)	↓	↓	↓	↓	–	↓	↓
Pyruvate (0000243)	2.379 (s)	–	–	–	–	↑	↑	–
Aspartate (00191)	2.684 (dd), 2.816 (dd), 3.902 (dd)	–	–	–	–	–	–	↓
Glucose (00122)	4.65 (d),5.2 (d)	–	–	↓	↓	–	↓	↓
Histidine (00177)	7.115 (d), 7.922 (d)	–	–	–	–	–	–	↓
Tyrosine (0000158)	6.91 (m),7.20 (m)	–	–	–	–	–	–	↓
Phenyl-alanine (0000159)	7.34 (d), 7.381 (m), 7.43 (m)	↓	–	–	↓	–	↓	↓
Tryptophan (0000929)	7.55 (d), 7.75 (d), 7.29 (s)	↓	–	↓	↓	–	–	↓
Formate (0000142)	8.461 (s)	–	–	–	–	–	↓	↓