Table 1 Statistically significant (|ES|> ES Error and p < 0.05) metabolite variations observed in the polar metabolome of MDA-MB-231/R (R) compared to MDA-MB-231 (S) (not considering time-course evolution)
Metabolite | δH (multiplicity) | R vs. S | |||
|---|---|---|---|---|---|
ES ± Error | p-value | ||||
Amino acids and derivatives | Cr | 3.04 (s) | 0.9 ± 0.6 | 1.5 × 10–3 | |
GSH | 2.96 (m) | 3.8 ± 0.9 | 2.2 × 10–18 | ||
Gln | 2.45 (m) | 2.8 ± 0.8 | 2.1 × 10–13 | ||
Glu | 2.36 (m) | −3.4 ± 0.8 | 5.6 × 10–15 | ||
Gly | 3.55 (s) | 0.6 ± 0.5 | 4.9 × 10–2 | ||
Ile | 0.94 (t) | 1.4 ± 0.6 | 5.5 × 10–6 | ||
Lys | 1.73 (m) | −1.2 ± 0.6 | 1.3 × 10–4 | ||
Met †| 2.64 (t) | 2.6 ± 0.7 | 1.3 × 10–8 | ||
PCr | 3.05 (s) | 2.2 ± 0.7 | 3.1 × 10–10 | ||
Phe | 7.33 (m) | −0.7 ± 0.6 | 1.8 × 10–2 | ||
Pro | 1.98 (m) | −0.9 ± 0.6 | 1.2 × 10–2 | ||
Sarcosine | 2.76 (s) | 0.9 ± 0.6 | 1.5 × 10–3 | ||
Tau | 3.43 (t) | 2.4 ± 0.7 | 1.2 × 10–11 | ||
Val | 1.05 (d) | 0.8 ± 0.6 | 3.8 × 10–3 | ||
Choline compounds | Cho | 3.20 (s) | −1.7 ± 0.6 | 1.5 × 10–7 | |
GPC | 3.23 (s) | −2.3 ± 0.7 | 2.3 × 10–6 | ||
Nucleotides and related metabolites | Adenine | 8.19 (s) | −2.9 ± 0.8 | 1.5 × 10–12 | |
Ado | 8.27 (s) | −3.0 ± 0.8 | 3.0 × 10–10 | ||
ADP | 8.54 (s) | −0.8 ± 0.6 | 1.5 × 10–2 | ||
AMP | 8.61 (s) | −1.7 ± 0.6 | 2.5 × 10–8 | ||
HX | 8.20 (s) | −1.9 ± 0.7 | 7.6 × 10–9 | ||
IMP | 8.58 (s) | −2.0 ± 0.7 | 2.3 × 10–7 | ||
Ino, Ado | 8.35 (s) | −1.3 ± 0.6 | 8.4 × 10–5 | ||
NAD+ | 8.43 (s) | −3.4 ± 0.8 | 3.8 × 10–10 | ||
Pseudouridine | 7.68 (s) | −0.9 ± 0.6 | 1.5 × 10–3 | ||
UDP | 8.01 (d) | −1.0 ± 0.6 | 1.3 × 10–4 | ||
UDP-GlcNAc | 5.52 (dd) | −1.2 ± 0.6 | 4.4 × 10–5 | ||
UDP-Glc/GlcA | 7.95 (d) | −3.2 ± 0.8 | 3.2 × 10–14 | ||
UMP | 8.11 (s) | −2.1 ± 0.7 | 2.4 × 10–9 | ||
Uracil | 5.81 (d) | −0.9 ± 0.6 | 3.3 × 10–3 | ||
Uridine | 7.88 (d) | −1.2 ± 0.6 | 6.8 × 10–5 | ||
Organic acids | Acetate | 1.92 (s) | −1.6 ± 0.6 | 1.2 × 10–6 | |
Formate | 8.46 (s) | −0.6 ± 0.5 | 4.0 × 10–2 | ||
Fumarate | 6.52 (s) | −2.0 ± 0.7 | 3.4 × 10–9 | ||
Lactate | 4.10 (q) | −1.0 ± 0.6 | 6.1 × 10–4 | ||
PA | 0.90 (s) | −1.4 ± 0.6 | 8.8 × 10–6 | ||
Other compounds | DMA | 2.73 (s) | 2.6 ± 0.7 | 2.5 × 10–8 | |
Myo-Inositol | 4.06 (t) | −1.3 ± 0.6 | 8.4 × 10–4 | ||