Table 2: List of identified metabolites in blood plasma samples of PCa patients using NMR spectroscopy and their chemical shift (ppm) positions of resonances 1H of metabolites. Code (identifiers) of the metabolites of data sets was searched in different metabolites Databases (KEGGID and HMDB).
S.No. |
Blood plasma Metabolites |
Chemical shift δ (1H) ppm |
Multiplicity |
HMDB |
KEGG |
1 |
Leucine |
0.96 |
t |
||
2 |
Valine |
1.00 |
d |
||
3 |
Isoleucine |
0.94 |
d |
||
4 |
3HOB |
1.20 |
d |
||
5 |
Lactate |
1.33 |
d |
||
6 |
Alanine |
1.48 |
d |
||
7 |
Acetate |
1.91 |
s |
||
8 |
Acetoacetate |
2.23 |
s |
||
9 |
Glutamate |
2.36 |
m |
||
10 |
Pyruvate |
2.37 |
s |
||
11 |
Glutamine |
2.45 |
m |
||
12 |
DMA |
2.73 |
s |
||
13 |
Creatine |
3.03 |
s |
||
14 |
Phosphocreatine |
3.05 |
s |
||
15 |
Malonate |
3.16 |
s |
||
16 |
Choline |
3.21 |
s |
||
17 |
GPC |
3.23 |
s |
||
18 |
Glycine |
3.56 |
s |
||
19 |
Creatinine |
4.06 |
s |
||
20 |
Tyrosine |
6.88 |
d |
||
21 |
Histidine |
7.08 |
s |
||
22 |
Phenylalanine |
7.33 |
m |
||
23 |
Glucose |
5.23, 4.64 |
d |
||
24 |
Taurine |
3.25 |
s |
||
25 |
Betaine |
3.91 |
s |
3HOB: 3Hyroxybutyrate; DMA: Dimethyl Amine; GPC: Glycerophosphocholine; s: Singlet; d: Doublet, t: Triplet m: Multiplet