. 2018 Mar 29;9:300. doi: 10.3389/fphar.2018.00300

Table 1.

Different metabolites identified between C group vs. S group and adjusted in X group.

No	m/z	Metabolites	Formula	VIP	Fold change(C/S)	Adjusted by Xuebijing Fold change(X/C)	Pathway involved	Δppm
1	116.071	Proline	C₅H₉NO₂	4.48	0.36↓^*	1.72↑^*	Proline metabolism	1.076
2	150.058	L-Methionine	C₅H₁₁NO₂S	2.89	0.43↓^*	1.63↑^*	Methionine metabolism	−0.039
3	229.154	Prolylleucine	C₁₁H₂₀N₂O₃	1.14	0.37↓^*	3.18↑^*	Prolylleucine metabolism	−2.614
4	132.102	Leucine	C₆H₁₃NO₂	9.52	0.37↓^*	1.76↑^*	Leucine metabolism	−0.267
5	146.165	Spermidine	C₇H₁₉N₃	1.69	0.36↓^*	1.90↑^*	Arginine and proline metabolism	−2.081
6	145.061	L-Glutamine	C₅H₁₀N₂O₃	1.07	0.50↓^*	1.63↑^*	Glutamate metabolism	0.905
7	160.037	4-Methylene-L-glutamate	C₆H₉NO₄	1.49	0.20↓^*	3.74↑^*	Glutamate metabolism	−0.839
8	586.315	N-Acetyl-D-glucosaminyldiphosphodolichol	C₂₃H₄₃NO₁₂P₂	1.16	0.30↓^*	1.79↑^*	N-Glycan biosynthesis	0.433
9	123.055	Nicotinamide	C₆H₆N₂O	1.41	0.49↓^*	1.53↑^*	Nicotinate and nicotinamide metabolism	0.736
10	138.055	Methyl nicotinate	C₇H₇NO₂	1.05	0.49↓^*	1.86↑^*	Nicotinate and nicotinamide metabolism	−0.688
11	581.320	Stearyl monoglyceridyl citrate	C₂₈H₅₄O₁₂	1.63	0.41↓^*	1.75↑^*	Lipid metabolism	4.398
12	269.226	anhydroretinol	C₂₀H₂₈	1.27	0.49↓^*	0.91	Vitamin A metabolism	−1.699
13	335.223	Prostaglandin B1	C₂₀H₃₂O₄	1.10	0.49↓^*	1.57↑^*	Arachidonic acid metabolism	3.264
14	319.226	15-Deoxy-Δ12,14-prostaglandin A1	C₂₀H₃₀O₃	1.36	0.44↓^*	0.87	Arachidonic acid metabolism	−2.197
15	218.139	Propionyl carnitine	C₁₀H₁₉NO₄	1.07	2.05↑^*	0.42↓^*	Fatty acid metabolism	−0.755
16	400.342	Palmitoyl carnitine	C₂₃H₄₅NO₄	1.36	2.03↑^*	0.77	Fatty acid metabolism	−1.387
17	428.373	Stearoyl carnitine	C₂₅H₄₉NO₄	1.02	2.77↑^*	0.65↓^*	Fatty acid metabolism	−2.557
18	357.278	Tetracosahexaenoic acid	C₂₄H₃₆O₂	1.79	2.39↑^*	0.86	Polyunsaturated fatty acid metabolism	−3.490
19	101.023	2-oxobutanoic acid	C₄H₆O₃	1.02	0.50↓^*	1.30	Propanoate, Cysteine and methionine metabolism	0.885
20	103.039	3-hydroxybutanoic acid	C₄H₈O₃	4.33	2.46↑^*	0.48↓^*	Butanoate metabolism	−2.141
21	124.006	Taurine	C₂H₇NO₃S	1.02	0.49↓^*	1.55↑^*	Taurine and hypotaturine metabolism	0.240
22	391.283	12-Ketodeoxycholic acid	C₂₄H₃₈O₄	1.14	2.15↑^*	0.64↓^*	Primary bile acid biosynthesis	−2.214
23	407.280	Cholic acid	C₂₄H₄₀O₅	3.70	3.84↑^*	0.65↓^*	Primary bile acid biosynthesis	1.889
24	212.002	3-Indoxyl sulfate	C₈H₇NO₄S	1.72	0.47↓^*	1.45	Tryptophan metabolism	1.581
25	583.336	Cholic acid glucuronide	C₃₀H₄₈O₁₁	1.31	0.47↓^*	2.09↑^*	Pentose and glucuronate interconversions	1.974
26	105.110	Choline	C₅H₁₄NO	1.14	2.10↑^*	0.51↓^*	Glycerophospholipid metabolism	−4.379
27	476.278	LysoPE(18:2)	C₂₃H₄₄NO₇P	1.03	0.48↓^*	1.56↑^*	Phospholipid metabolism	1.710
28	482.324	LysoPE(18:0)	C₂₃H₄₈NO₇P	1.17	0.49↓^*	1.63↑^*	Phospholipid metabolism	−1.111
29	526.315	LysoPE(22:5)	C₂₇H₄₆NO₇P	1.00	0.50↓^*	1.05	Phospholipid metabolism	1.452
30	520.339	LysoPC(18:2)	C₂₆H₅₀NO₇P	7.04	0.46↓^*	1.29	Phospholipid metabolism	−0.914
31	542.321	LysoPC(20:5)	C₂₈H₄₈NO₇P	1.29	0.30↓^*	1.83↑^*	Phospholipid metabolism	−3.671
32	546.352	LysoPC(20:3)	C₂₈H₅₂NO₇P	1.66	0.43↓^*	1.95↑^*	Phospholipid metabolism	−1.804
33	550.385	LysoPC(20:1)	C₂₈H₅₆NO₇P	1.04	0.47↓^*	1.35	Phospholipid metabolism	−1.773
34	568.338	LysoPC(22:6)	C₃₀H₅₀NO₇P	3.21	0.49↓^*	1.93↑^*	Phospholipid metabolism	−1.576
35	494.323	LysoPC(16:1)	C₂₄H₄₈NO₇P	1.18	0.46↓^*	2.36↑^*	Phospholipid metabolism	−2.257
36	510.355	LysoPC(17:0)	C₂₅H₅₂NO₇P	1.08	0.50↓^*	1.59↓^*	Phospholipid metabolism	−2.284
37	330.336	Dihydroceramide	C₁₉H₃₉NO₃	1.57	0.49↓^*	1.65↑^*	Sphingolipid metabolism	−4.089
38	352.290	Sphingosine 1-phosphate	C₁₆H₃₄NO₅P	1.01	0.50↓^*	1.57↑^*	Sphingolipid metabolism	−4.917
39	703.574	Palmitoyl sphingomyelin	C₃₉H₇₉N₂O₆P	3.27	2.07↑^*	0.58↓^*	Sphingolipid metabolism	−2.119
40	112.051	cytosine	C₄H₅N₃O	1.10	0.49↓^*	1.50↑^*	pyrimidine metabolism	0.014
41	179.055	D-(+)-Glucose	C₆H₁₂O₆	1.89	0.47↓^*	1.81↑^*	glucose metabolism	1.762

The values have statistical significance (P < 0.05); ↑ The metabolites were up-regulated; ↓ The metabolites were down-regulated.