Blood and urinary metabolomic evidence validating traditional Chinese medicine diagnostic classification of major depressive disorder

Liu, Lan-Ying; Zhang, Hong-Jian; Luo, Li-Yuan; Pu, Jin-Bao; Liang, Wei-Qing; Zhu, Chun-Qin; Li, Ya-Ping; Wang, Pei-Rong; Zhang, Yuan-Yuan; Yang, Chun-Yu; Zhang, Zhang-Jin

doi:10.1186/s13020-018-0211-z

Table 3 Differential metabolites identified from MDD patients with TCM subtypes and healthy controls ^a

From: Blood and urinary metabolomic evidence validating traditional Chinese medicine diagnostic classification of major depressive disorder

Group samples	Metabolites	Formula	r ^b	p-value^c	FC (MDD/HC)^a	Pathway
Serum: LQS vs. HC ^a
1^d	l-Valine	C₅H₁₁NO₂	0.236	0.009	0.930	Aminoacyl-tRNA biosynthesis
2^d	l-Phenylalanine	C₉H₁₁NO₂	0.199	0.237	0.350	Aminoacyl-tRNA biosynthesis
3^d	l-Lysine	C₆H₁₄N₂O₂	0.150	0.761	0.459	Aminoacyl-tRNA biosynthesis
4	l-Proline	C₅H₉NO₂	0.143	0.447	0.182	Aminoacyl-tRNA biosynthesis
5^d	l-Leucine	C₆H₁₃NO₂	0.124	0.000	1.047	Aminoacyl-tRNA biosynthesis
6^e	Isobutyric acid	C₄H₈O₂	0.103	0.565	0.702	Protein digestion and absorption
7	l-Lactic acid	C₃H₆O₃	− 0.147	0.370	0.013	Propanoate metabolism
8	Glycine	C₂H₅NO₂	− 0.151	0.279	− 0.954	Aminoacyl-tRNA biosynthesis
9	Threonic acid	C₄H₈O₅	− 0.175	0.250	− 1.080	Ascorbate and aldarate metabolism
Urine: LQS vs. HC ^a
1	l-Sorbose	C₆H₁₂O₆	0.149	0.624	0.661	Unknown
2	Diacetyl	C₄H₆O₂	0.147	0.120	0.825	Butanoate metabolism
3	N-Acetyl-d-glucosamine	C₈H₁₅NO₆	0.146	0.748	0.304	Amino sugar and nucleotide sugar metabolism
4^d	l-Methionine	C₅H₁₁NO₂S	0.144	0.417	0.546	Cysteine and methionine metabolism
5^d	3-Hydroxybutyric acid	C₄H₈O₃	0.139	0.088	0.819	Butanoate metabolism
6^d	Pyruvic acid	C₃H₄O₃	0.125	0.116	1.085	Citrate cycle (TCA cycle)
7^d	Stearic acid	C₁₈H₃₆O₂	0.117	0.327	0.490	Fatty acid biosynthesis
8	trans-Aconitic acid	C₆H₆O₆	0.115	0.648	0.444	C5-Branched dibasic acid metabolism
9^d	Glycine	C₂H₅NO₂	0.111	0.685	0.441	Aminoacyl-tRNA biosynthesis
10^d	N-Acetyl-l-aspartic acid	C₆H₉NO₅	0.107	0.176	0.680	Alanine, aspartate and glutamate metabolism
11	Threonic acid	C₄H₈O₅	0.101	0.906	0.428	Ascorbate and aldarate metabolism
12^d	l-Tryptophan	C₁₁H₁₂N₂O₂	− 0.108	0.054	0.186	Glycine, serine and threonine metabolism
13	α-Lactose	C₁₂H₂₂O₁₁	− 0.114	0.116	0.259	Galactose metabolism
14^d	l-Lactic acid	C₃H₆O₃	− 0.129	0.735	0.263	Propanoate metabolism
15^d	Palmitic acid	C₁₆H₃₂O₂	− 0.149	0.005	0.303	Fatty acid metabolism
16	Indoxyl sulfate	C₈H₇NO₄S	− 0.164	0.673	0.583	Unknown
17^d	o-Tyrosine	C₉H₁₁NO₃	− 0.203	0.217	0.080	Unknown
18	p-Hydroxyphenylacetic acid	C₉H₈O₃	− 0.122	0.673	− 0.120	Tyrosine metabolism
19^d	Citric acid	C₆H₈O₇	− 0.156	0.015	− 0.265	Citrate cycle (TCA cycle)
Serum: HSD vs. HC ^a
1^d	l-Valine	C₅H₁₁NO₂	0.226	0.079	0.689	Aminoacyl-tRNA biosynthesis
2^d	l-Leucine	C₆H₁₃NO₂	0.161	0.000	1.120	Aminoacyl-tRNA biosynthesis
3^d	l-Lysine	C₆H₁₄N₂O₂	0.148	0.337	0.722	Aminoacyl-tRNA biosynthesis
4	l-Threonine	C₄H₉NO₃	− 0.105	0.000	− 0.191	Glycine, serine and threonine metabolism
5	d-chiro-Inositol	C₆H₁₂O₆	− 0.135	0.138	− 0.200	Inositol phosphate metabolism
6^d	l-Methionine	C₅H₁₁NO₂S	− 0.140	0.009	− 0.299	Cysteine and methionine metabolism
7	l-Lactic acid	C₃H₆O₃	− 0.170	0.253	− 0.183	Propanoate metabolism
Urine: HSD vs. HC ^a
1^d	l-Isoleucine	C₆H₁₃NO₂	0.161	0.007	0.681	Valine, leucine and isoleucine degradation
2	Threonic acid	C₄H₈O₅	0.113	0.349	0.687	Ascorbate and aldarate metabolism
3	N-Acetyl-d-glucosamine	C₈H₁₅NO₆	0.109	0.283	0.432	Amino sugar and nucleotide sugar metabolism
4^d	Stearic acid	C₁₈H₃₆O₂	− 0.104	0.002	0.019	Fatty acid biosynthesis
5	α-Lactose	C₁₂H₂₂O₁₁	− 0.116	0.000	− 0.126	Galactose metabolism
Urine: LQS vs. HSD ^a
1	Isobutyric acid	C₄H₈O₂	0.127	0.304	1.114^e	Protein digestion and absorption

^a FC fold change, MDD major depressive disorder, HC healthy controls, LQS Liver Qi Stagnation, HSD Heart and Spleen Deficiency
^b Correlation coefficients (r) were obtained from OPLC-DA with a threshold of 3.010. Positive and negative coefficients respectively indicate higher and lower levels of metabolites compared to healthy controls
^c p-values were obtained from Wilcoxon-Mann–Whitney test between TCM subtypes and healthy controls
^d Metabolites were determined using standard samples
^e FC value represents LQS/HSD

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