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. Author manuscript; available in PMC: 2017 Mar 6.
Published in final edited form as: J Neurochem. 2017 Mar;140(6):919–940. doi: 10.1111/jnc.13950

Table 1.

Concentrations, along with the considered NMR signals, of the 39 metabolites identified in aqueous brain extracts of Akp2+/+ (+/+), Akp2+/− (+/−), and Akp2−/− (−/−) mice brains (s: singlet; d: doublet; dd: doublet of doublet; t: triplet; m: multiplet). The 8 discriminating metabolites are shown at the top of the table (bold), followed by the 31 other metabolites alphabetically listed. The mean concentrations and standard deviations (SD) are expressed in nmol/g of wet brain tissue. Variations were calculated with the mean concentration values (CI: 95% confidence interval).

Metabolites NMR signals considered for
quantification (δ, multiplicity)
Mean concentration
nmol/g (SD)
Variation
Ratio of the means [CI low-CI high]
−/− +/−
+/+ +/− −/− vs +/+ vs +/− vs +/+
Adenosine 8.327 (s) 37
(29)
25
(8)
5
(2)
0.14
[0.08-0.29]
0.20
[0.14-0.28]
0.69
[0.43-1.40]

Cystathionine 2.884 (ABd system)a 94
(31)
67
(23)
366
(62)
3.89
[3.10-5.05]
5.49
[4.36-7.14]
0.71
[0.52-0.96]

GABA 2.288 (t) 1169
(87)
1 165
(64)
702
(33)
0.60
[0.57-0.64]
0.60
[0.58-0.63]
1,00
[0.94-1.06]

Methionine 2.127 (s) 94
(19)
83
(16)
141
(48)
1.50
[1.11-1.93]
1.69
[1.27-2.16]
0.89
[0.75-1.05]

3-methylhistidine 6.810 (s) 27
(11)
34
(9)
47
(11)
1.75
[1.31-2.43]
1.39
[1.10-1.75]
1.26
[0.95-1.74]

Histidine 6.955 (s) 156
(31)
138
(16)
187
(37)
1.20
[0.99-1.44]
1.36
[1.15-1.57]
0.88
[0.77-1.02]

NAA 2.024 (s) 1 719
(199)
1 680
(173)
2 010
(192)
1.17
[1.06-1.29]
1.20
[1.09-1.31]
0.98
[0.89-1.08]

NAAG 2.058 (s) 702
(63)
691
(43)
794
(54)
1.13
[1.05-1.22]
1.15
[1.08-1.22]
0.99
[0.92-1.06]

AMP 8.532 (s) 925
(152)
913
(103)
1 023
(194)
1.11
[0.93-1.31]
1.12
[0.96-1.29]
0.99
[0.88-1.12]

ADP 8.473 (s) 479
(137)
605
(190)
465
(152)
0.97
[0.71-1.30]
0.77
[0.56-1.03]
1.26
[0.97-1.64]

ATP 8.458 (s) 179
(85)
185
(76)
132
(74)
0.74
[0.42-1.20]
0.71
[0.42-1.11]
1.03
[0.70-1.57]

Alanine 1.379 (d) 662
(150)
633
(75)
662
(143)
1,00
[0.81-1.23]
1.05
[0.88-1.23]
0.96
[0.82-1.13]

Arginine 3.186 (t) a 715
(102)
641
(112)
688
(150)
0.96
[0.80-1.14]
1.07
[0.89-1.29]
0.90
[0.78-1.03]

Aspartate 3.740 (dd) a 1 370
(311)
1 055
(174)
1 432
(462)
1.05
[0.78-1.35]
1.36
(1.04-1.71]
0.77
(0.65-0.92]

Betaine 3.271 (s) 35
(5)
35
(3)
43
(7)
1.22
[1.05-1.42]
1.23
[1.07-1.40]
0.99
[0.90-1.10]

Choline 3.205 (s) 77
(29)
68
(9)
64
(7)
0.83
[0.66-1.10]
0.94
[0.84-1.05]
0.89
[0.71-1.17]

Creatine 3.039 (s) 4 813
(467)
4 485
(321)
4 355
(255)
0.91
[0.84-0.98]
0.97
[0.92-1.03]
0.93
[0.87-1.01]

Fumarate 6.524 (s) 33
(8)
30
(5)
35
(6)
1.05
[0.86-1.29]
1.15
[0.98-1.34]
0.91
[0.76-1.11]

Glutamate 2.277 (t) 3 477
(461)
3 279
(331)
3 531
(325)
1.02
[0.92-1.13]
1.08
[0.99-1.18]
0.94
[0.85-1.05]

Glutamine 2.344 (m) 2 805
(453)
2 859
(333)
2 703
(434)
0.96
[0.83-1.12]
0.95
[0.83-1.08]
1.02
[0.90-1.16]

Glutathione disulfide 3.783 (AB system) a 676
(88)
645
(45)
667
(97)
0.99
[0.86-1.12]
1.04
[0.92-1.15]
0.95
[0.87-1.05]

Glycerophosphocholine 3.23.4 (s) 289
(47)
299
(30)
308
(32)
1.06
[0.94-1.21]
1.03
[0.94-1.13]
1.03
[0.92-1.17]

Glycine 3.380 (s) 1 321
(149)
1 237
(149)
1 256
(197)
0.95
[0.83-1.08]
1.02
[0.89-1.16]
0.94
[0.85-1.04]

GMP 8.091 (s) 157
(40)
127
(38)
177
(40)
1.13
[0.90-1.42]
1.40
[1.10-1.79]
0.81
[0.63-1.03]

Isoleucine 0.975 (d) a 70
(19)
74
(10)
73
(15)
1.04
[0.83-1.30]
0.99
[0.83-1.16]
1.05
[0.88-1.28]

Lactate 1.333 (d) 2 823
(707)
2 740
(499)
3 315
(682)
1.17
[0.95-1.46]
1.21
(1.00-1.46]
0.97
[0.81-1.19]

Leucine 0.925 (d) a 234
(52)
234
(020)
254
(52)
1.09
[0.89-1.33]
1.09
[0.92-1.26]
1.00
[0.87-1.17]

NAD+ 8.748 (d), 9.013 (d) and 9.273 (s) 160
(24)
146
(15)
157
(25)
0.99
[0.85-1.14]
1.08
[0.95-1.22]
0.91
[0.82-1.02]

Nicotinamide 8.716 (dd) and 8.946 (d) 35
(10)
32
(9)
46
(12)
1.30
[1.00-1.70]
1.43
[1.11-1.84]
0.91
[0.70-1.18]

Oxoproline 2.387 (m) 323
(67)
311
(53)
374
(117)
1.16
[0.88-1.48]
1.21
[0.93-1.51]
0.96
[0.82-1.14]

Phenylalanine 7.348 (m) 108
(16)
106
(12)
123
(18)
1.14
[1.01-1.30]
1.16
[1.06-1.28]
0.98
[0.87-1.10]

Phosphocholine 3.225 (s) 879
(88)
907
(98)
1 072
(171)
1.22
[1.07-1.38]
1.18
[1.03-1.34]
1.03
[0.94-1.13]

Phosphocreatine 3.046 (s) 506
(78)
596
(216)
504
(112)
1,00
[0.82-1.19]
0.85
[0.65-1.13]
1.18
[0.91-1.47]

Phosphoethanolamine 3.136 (m) 3 129
(371)
3 056
(192)
3 003
(230)
0.96
[0.88-1.05]
0.98
[0.92-1.05]
0.98
[0.90-1.06]

Succinate 2.407 (s) 201
(34)
195
(18)
228
(34)
1.13
[0.98-1.32]
1.17
[1.04-1.31]
0.97
[0.86-1.10]

Taurine 3.085 (s) 14 153
(1 206)
13 996
(666)
14 312
(1 401)
1.01
[0.93-1.10]
1.02
[0.95-1.10]
0.99
[0.93-1.05]

Tryptophane 7.183 (m) and 7.530 (m) 41
(15)
43
(6)
54
(19)
1.31
[0.92-1.84]
1.26
[0.94-1.59]
1.04
[0.83-1.36]

Tyrosine 6.771 and 7.107 (AA’XX’ system) 141
(38)
138
(15)
150
(31)
1.07
[0.86-1.34]
1.09
[0.93-1.27]
0.98
[0.82-1.19]

Valine 0.989 (d) 118
(27)
126
(18)
122
(21)
1.03
[0.86-1.25]
0.97
[0.83-1.12]
1.07
[0.91-1.27]
a

Only a part of the signal was considered for quantification.